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(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164995034 722207824 /nfs/dbraw/zinc/20/78/24/722207824.db2.gz KLZIBNYATVJCEO-DEOSSOPVSA-N 1 3 394.538 4.061 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175992477 823090540 /nfs/dbraw/zinc/09/05/40/823090540.db2.gz WREQQAOUDSJQHR-IBGZPJMESA-N 1 3 397.563 4.223 20 0 GIADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121084567 823115498 /nfs/dbraw/zinc/11/54/98/823115498.db2.gz VHBJKJIXQHVJKQ-HXUWFJFHSA-N 1 3 389.547 4.350 20 0 GIADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225493 823142174 /nfs/dbraw/zinc/14/21/74/823142174.db2.gz TZNCJEDZZWGSQP-AUSIDOKSSA-N 1 3 394.563 4.265 20 0 GIADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225493 823142178 /nfs/dbraw/zinc/14/21/78/823142178.db2.gz TZNCJEDZZWGSQP-AUSIDOKSSA-N 1 3 394.563 4.265 20 0 GIADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056495160 823159222 /nfs/dbraw/zinc/15/92/22/823159222.db2.gz ITMOEWUZCYRYHL-UHFFFAOYSA-N 1 3 397.563 4.154 20 0 GIADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056495160 823159226 /nfs/dbraw/zinc/15/92/26/823159226.db2.gz ITMOEWUZCYRYHL-UHFFFAOYSA-N 1 3 397.563 4.154 20 0 GIADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000571427863 823181217 /nfs/dbraw/zinc/18/12/17/823181217.db2.gz PYXWPAQAQUQOID-ZKMPZPQNSA-N 1 3 394.607 4.250 20 0 GIADHO Clc1ccc([C@@H]2CCCCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633876 823212559 /nfs/dbraw/zinc/21/25/59/823212559.db2.gz DIZPRIQSQDXIRB-RBUKOAKNSA-N 1 3 387.959 4.131 20 0 GIADHO C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000122440210 823354520 /nfs/dbraw/zinc/35/45/20/823354520.db2.gz WFUXHGRQZNJOML-SFHVURJKSA-N 1 3 395.547 4.216 20 0 GIADHO CN1CCC([NH+]2CCC(NCc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000189104571 823358314 /nfs/dbraw/zinc/35/83/14/823358314.db2.gz XTFUKYVVIQYYBY-UHFFFAOYSA-N 1 3 389.893 4.007 20 0 GIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000177226633 823404489 /nfs/dbraw/zinc/40/44/89/823404489.db2.gz UWRUYXZZBHINNZ-HNNXBMFYSA-N 1 3 377.326 4.240 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640450 821378654 /nfs/dbraw/zinc/37/86/54/821378654.db2.gz KCMBSDLSABLQJB-YWZLYKJASA-N 1 3 378.438 4.123 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640450 821378662 /nfs/dbraw/zinc/37/86/62/821378662.db2.gz KCMBSDLSABLQJB-YWZLYKJASA-N 1 3 378.438 4.123 20 0 GIADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000180976258 821568368 /nfs/dbraw/zinc/56/83/68/821568368.db2.gz DYNGIMWRIZRUGC-YADARESESA-N 1 3 391.559 4.240 20 0 GIADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000180976220 821568528 /nfs/dbraw/zinc/56/85/28/821568528.db2.gz DYNGIMWRIZRUGC-CYFREDJKSA-N 1 3 391.559 4.240 20 0 GIADHO CC(C)Sc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996533 821582305 /nfs/dbraw/zinc/58/23/05/821582305.db2.gz RBQNORJCNRBTFJ-GOSISDBHSA-N 1 3 399.604 4.329 20 0 GIADHO C[C@@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000181412971 821812431 /nfs/dbraw/zinc/81/24/31/821812431.db2.gz GXVRYYNACCCZGJ-SMOSDQRPSA-N 1 3 387.593 4.146 20 0 GIADHO C[C@@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000181412990 821812462 /nfs/dbraw/zinc/81/24/62/821812462.db2.gz GXVRYYNACCCZGJ-FIYPYCPBSA-N 1 3 387.593 4.146 20 0 GIADHO CC(C)c1cccc2c1OCCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182267173 822179161 /nfs/dbraw/zinc/17/91/61/822179161.db2.gz FLHKRUACNXWQAY-XUZZJYLKSA-N 1 3 394.559 4.380 20 0 GIADHO CC(C)c1cccc2c1OCCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182267173 822179163 /nfs/dbraw/zinc/17/91/63/822179163.db2.gz FLHKRUACNXWQAY-XUZZJYLKSA-N 1 3 394.559 4.380 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1CN1CCCCC1 ZINC000182536969 822288706 /nfs/dbraw/zinc/28/87/06/822288706.db2.gz XJVCLEMDGFAPMM-JTSKRJEESA-N 1 3 386.511 4.204 20 0 GIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178038314 822293409 /nfs/dbraw/zinc/29/34/09/822293409.db2.gz ISPFUIYNMQIZTK-ZACQAIPSSA-N 1 3 388.581 4.054 20 0 GIADHO Cc1ccsc1[C@H](NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1F ZINC000182639374 822334666 /nfs/dbraw/zinc/33/46/66/822334666.db2.gz ZNQSPEZCGZSDHG-LJQANCHMSA-N 1 3 396.959 4.232 20 0 GIADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182770902 822365233 /nfs/dbraw/zinc/36/52/33/822365233.db2.gz RQLGSAMVFBLOPL-LJQANCHMSA-N 1 3 384.536 4.469 20 0 GIADHO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183197093 822439812 /nfs/dbraw/zinc/43/98/12/822439812.db2.gz DFJCVRUEMHKYSK-YXWAVELNSA-N 1 3 379.589 4.065 20 0 GIADHO Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C2CC2)cc1 ZINC000180179526 822633520 /nfs/dbraw/zinc/63/35/20/822633520.db2.gz TZHHCVXPJDFHOT-XMMPIXPASA-N 1 3 391.559 4.062 20 0 GIADHO Cc1cc([C@H]([NH2+]C[C@H](C)N2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180464355 822686827 /nfs/dbraw/zinc/68/68/27/822686827.db2.gz CAHRULRILCBTKC-JTSKRJEESA-N 1 3 389.946 4.102 20 0 GIADHO C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCN1Cc1ccccc1 ZINC000455835287 822733920 /nfs/dbraw/zinc/73/39/20/822733920.db2.gz ACFMCGUMDHSOIZ-NLSFWIRASA-N 1 3 392.547 4.020 20 0 GIADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000174868910 822848877 /nfs/dbraw/zinc/84/88/77/822848877.db2.gz URSUYPBPEVKLJR-QFIPXVFZSA-N 1 3 394.563 4.124 20 0 GIADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000174868910 822848880 /nfs/dbraw/zinc/84/88/80/822848880.db2.gz URSUYPBPEVKLJR-QFIPXVFZSA-N 1 3 394.563 4.124 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175197619 822902010 /nfs/dbraw/zinc/90/20/10/822902010.db2.gz BMJURLFZRKVVBQ-UHFFFAOYSA-N 1 3 377.488 4.343 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)ccc1OC ZINC000186484513 822902959 /nfs/dbraw/zinc/90/29/59/822902959.db2.gz NXFIRQABGURUNE-GOSISDBHSA-N 1 3 394.563 4.317 20 0 GIADHO CC(C)(C)c1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000569796143 822970224 /nfs/dbraw/zinc/97/02/24/822970224.db2.gz WSELHJUPCRRPPE-UHFFFAOYSA-N 1 3 386.971 4.429 20 0 GIADHO CCCCCC(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411217884 823557945 /nfs/dbraw/zinc/55/79/45/823557945.db2.gz HOJWISZLEDSANX-UHFFFAOYSA-N 1 3 385.596 4.333 20 0 GIADHO COc1cc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc2c1OCO2 ZINC000061000054 823571962 /nfs/dbraw/zinc/57/19/62/823571962.db2.gz XFHRCMHFMANINU-ROUUACIJSA-N 1 3 396.531 4.192 20 0 GIADHO CC[NH+](CC)CCOc1ccc(CNCc2cccc(Br)c2)cc1 ZINC000061051991 823575529 /nfs/dbraw/zinc/57/55/29/823575529.db2.gz QJJKYRXECUCRKQ-UHFFFAOYSA-N 1 3 391.353 4.460 20 0 GIADHO CC[C@H](C)[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469075 823578568 /nfs/dbraw/zinc/57/85/68/823578568.db2.gz FMDOTQPCUUNTBI-KKSFZXQISA-N 1 3 379.976 4.006 20 0 GIADHO CC(C)[NH+]1CCN(CCCN2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000191456038 823687174 /nfs/dbraw/zinc/68/71/74/823687174.db2.gz SSKBJTYEVNBKAE-HXUWFJFHSA-N 1 3 394.401 4.002 20 0 GIADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000164452459 823803605 /nfs/dbraw/zinc/80/36/05/823803605.db2.gz QSDOVMRSLOGHKZ-HNNXBMFYSA-N 1 3 385.474 4.277 20 0 GIADHO COc1ccc([C@H](CN(C)C)N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877612 823849756 /nfs/dbraw/zinc/84/97/56/823849756.db2.gz QPMFPIIMVHZEEQ-UPVQGACJSA-N 1 3 393.575 4.085 20 0 GIADHO COc1ccc([C@H](CN(C)C)N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877612 823849763 /nfs/dbraw/zinc/84/97/63/823849763.db2.gz QPMFPIIMVHZEEQ-UPVQGACJSA-N 1 3 393.575 4.085 20 0 GIADHO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007653 823885810 /nfs/dbraw/zinc/88/58/10/823885810.db2.gz JILZHXVVYKZISQ-UWJYYQICSA-N 1 3 399.604 4.339 20 0 GIADHO C[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126705387 823931405 /nfs/dbraw/zinc/93/14/05/823931405.db2.gz CGYOFEOGPWLCBJ-UONOGXRCSA-N 1 3 395.444 4.407 20 0 GIADHO Fc1ccc(N2CC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342630 823962003 /nfs/dbraw/zinc/96/20/03/823962003.db2.gz ITUBULANWGMBDZ-ZQRMPTRQSA-N 1 3 379.523 4.190 20 0 GIADHO Fc1ccc(N2CC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342630 823962010 /nfs/dbraw/zinc/96/20/10/823962010.db2.gz ITUBULANWGMBDZ-ZQRMPTRQSA-N 1 3 379.523 4.190 20 0 GIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126847226 823965149 /nfs/dbraw/zinc/96/51/49/823965149.db2.gz WTUDDAQIRSQSSA-YPBQGGFRSA-N 1 3 376.591 4.048 20 0 GIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126847226 823965155 /nfs/dbraw/zinc/96/51/55/823965155.db2.gz WTUDDAQIRSQSSA-YPBQGGFRSA-N 1 3 376.591 4.048 20 0 GIADHO Cc1ccc(C)c(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000170823702 823980379 /nfs/dbraw/zinc/98/03/79/823980379.db2.gz FUFQEOSDWOISGW-UHFFFAOYSA-N 1 3 382.548 4.083 20 0 GIADHO Cc1ccc(C)c(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000170823702 823980384 /nfs/dbraw/zinc/98/03/84/823980384.db2.gz FUFQEOSDWOISGW-UHFFFAOYSA-N 1 3 382.548 4.083 20 0 GIADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805173 824037956 /nfs/dbraw/zinc/03/79/56/824037956.db2.gz AEXVPDDYKJRYOR-WCQYABFASA-N 1 3 379.854 4.183 20 0 GIADHO CCC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710674 823117860 /nfs/dbraw/zinc/11/78/60/823117860.db2.gz SFTQQTXXQUCVJW-PZJWPPBQSA-N 1 3 385.577 4.076 20 0 GIADHO CCC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710674 823117861 /nfs/dbraw/zinc/11/78/61/823117861.db2.gz SFTQQTXXQUCVJW-PZJWPPBQSA-N 1 3 385.577 4.076 20 0 GIADHO Clc1ccc([C@H]2CCCCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633877 823212529 /nfs/dbraw/zinc/21/25/29/823212529.db2.gz DIZPRIQSQDXIRB-RTBURBONSA-N 1 3 387.959 4.131 20 0 GIADHO CCn1c(C)nnc1CN1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459528864 823212554 /nfs/dbraw/zinc/21/25/54/823212554.db2.gz RBKKWLMNGIAUCV-QHCPKHFHSA-N 1 3 395.595 4.263 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257613 /nfs/dbraw/zinc/25/76/13/823257613.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 1 3 393.550 4.010 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257618 /nfs/dbraw/zinc/25/76/18/823257618.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 1 3 393.550 4.010 20 0 GIADHO C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671523 823379521 /nfs/dbraw/zinc/37/95/21/823379521.db2.gz IOFKNYXDFIQLFM-KKSFZXQISA-N 1 3 376.928 4.055 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000572734024 823390752 /nfs/dbraw/zinc/39/07/52/823390752.db2.gz TVJCGLTZBBFVHY-QFIPXVFZSA-N 1 3 385.596 4.086 20 0 GIADHO CC(C)[C@H](CC1CCCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460488930 823406162 /nfs/dbraw/zinc/40/61/62/823406162.db2.gz JEIIZBUJCJURIE-QFIPXVFZSA-N 1 3 391.644 4.296 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238407 823407401 /nfs/dbraw/zinc/40/74/01/823407401.db2.gz LXWMTNQCPUXYDV-UHFFFAOYSA-N 1 3 383.536 4.021 20 0 GIADHO COc1cccc([C@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000177288220 823422418 /nfs/dbraw/zinc/42/24/18/823422418.db2.gz QYXIFFKWVNBEKN-IBGZPJMESA-N 1 3 398.547 4.036 20 0 GIADHO COc1cccc([C@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000177288220 823422423 /nfs/dbraw/zinc/42/24/23/823422423.db2.gz QYXIFFKWVNBEKN-IBGZPJMESA-N 1 3 398.547 4.036 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2)CC1 ZINC000572972716 823428661 /nfs/dbraw/zinc/42/86/61/823428661.db2.gz APXKOHZCBJVPHO-UHFFFAOYSA-N 1 3 399.579 4.050 20 0 GIADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000177356244 823443968 /nfs/dbraw/zinc/44/39/68/823443968.db2.gz LDQYKYKOISFQCK-HXUWFJFHSA-N 1 3 383.511 4.046 20 0 GIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(I)cc1 ZINC000123704341 823533380 /nfs/dbraw/zinc/53/33/80/823533380.db2.gz AHOHFRYWTHITEP-AWEZNQCLSA-N 1 3 394.300 4.204 20 0 GIADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)s1 ZINC000180974577 821566833 /nfs/dbraw/zinc/56/68/33/821566833.db2.gz VQTBQIMSSNGPEU-OAHLLOKOSA-N 1 3 391.968 4.078 20 0 GIADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000180975783 821567648 /nfs/dbraw/zinc/56/76/48/821567648.db2.gz LZTABYHCHNIHDA-KRWDZBQOSA-N 1 3 385.939 4.016 20 0 GIADHO C[C@H](NCc1ccccc1N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181265769 821724430 /nfs/dbraw/zinc/72/44/30/821724430.db2.gz JRDFNUXUVMZNAO-FQEVSTJZSA-N 1 3 381.564 4.468 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405374 821808925 /nfs/dbraw/zinc/80/89/25/821808925.db2.gz WZHAQZKWQXTDBU-DOTOQJQBSA-N 1 3 393.622 4.265 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405374 821808937 /nfs/dbraw/zinc/80/89/37/821808937.db2.gz WZHAQZKWQXTDBU-DOTOQJQBSA-N 1 3 393.622 4.265 20 0 GIADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518444 821864039 /nfs/dbraw/zinc/86/40/39/821864039.db2.gz NZNJFRFHTIYPDJ-IRXDYDNUSA-N 1 3 399.501 4.380 20 0 GIADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518444 821864044 /nfs/dbraw/zinc/86/40/44/821864044.db2.gz NZNJFRFHTIYPDJ-IRXDYDNUSA-N 1 3 399.501 4.380 20 0 GIADHO COc1cccc2cc([C@H](C)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)oc21 ZINC000181708119 821953233 /nfs/dbraw/zinc/95/32/33/821953233.db2.gz GICGMCXOHJVNMT-KRWDZBQOSA-N 1 3 394.515 4.249 20 0 GIADHO CC(C)[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Cl)cc1F ZINC000182009283 822060984 /nfs/dbraw/zinc/06/09/84/822060984.db2.gz ZSYYREWCJXMYHS-FQEVSTJZSA-N 1 3 390.934 4.113 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249248 822167649 /nfs/dbraw/zinc/16/76/49/822167649.db2.gz CDQFEIJMJLMVML-OXJNMPFZSA-N 1 3 390.474 4.096 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249248 822167655 /nfs/dbraw/zinc/16/76/55/822167655.db2.gz CDQFEIJMJLMVML-OXJNMPFZSA-N 1 3 390.474 4.096 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264003 822177489 /nfs/dbraw/zinc/17/74/89/822177489.db2.gz IGMFTPOAFXUJBK-KXBFYZLASA-N 1 3 394.437 4.003 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264003 822177495 /nfs/dbraw/zinc/17/74/95/822177495.db2.gz IGMFTPOAFXUJBK-KXBFYZLASA-N 1 3 394.437 4.003 20 0 GIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178038282 822293534 /nfs/dbraw/zinc/29/35/34/822293534.db2.gz ISPFUIYNMQIZTK-BBWFWOEESA-N 1 3 388.581 4.054 20 0 GIADHO Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178256879 822359560 /nfs/dbraw/zinc/35/95/60/822359560.db2.gz OIFLELGTCKXRIY-GOSISDBHSA-N 1 3 379.342 4.127 20 0 GIADHO COc1cc(-c2ccccc2)ccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000183057441 822418346 /nfs/dbraw/zinc/41/83/46/822418346.db2.gz RQYQPGKLSTULEJ-UHFFFAOYSA-N 1 3 393.575 4.010 20 0 GIADHO C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183100644 822424519 /nfs/dbraw/zinc/42/45/19/822424519.db2.gz JEDABQCFPNBFPZ-ICSRJNTNSA-N 1 3 393.616 4.266 20 0 GIADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000179511125 822493633 /nfs/dbraw/zinc/49/36/33/822493633.db2.gz GRXWJUGLTPZBNB-SFHVURJKSA-N 1 3 392.341 4.025 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000046917543 822530526 /nfs/dbraw/zinc/53/05/26/822530526.db2.gz MSFDMACTYKGPFK-QHCPKHFHSA-N 1 3 379.548 4.095 20 0 GIADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000047306840 822564089 /nfs/dbraw/zinc/56/40/89/822564089.db2.gz QOIKEEQCDIYHMK-JOCHJYFZSA-N 1 3 399.604 4.159 20 0 GIADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997863 822592926 /nfs/dbraw/zinc/59/29/26/822592926.db2.gz YXFWKZKPHGNNCS-QRVBRYPASA-N 1 3 392.547 4.033 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997863 822592930 /nfs/dbraw/zinc/59/29/30/822592930.db2.gz YXFWKZKPHGNNCS-QRVBRYPASA-N 1 3 392.547 4.033 20 0 GIADHO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000455838562 822734764 /nfs/dbraw/zinc/73/47/64/822734764.db2.gz BUWQOQJTDBLMAP-KNXBSLHKSA-N 1 3 380.536 4.048 20 0 GIADHO Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455930027 822751583 /nfs/dbraw/zinc/75/15/83/822751583.db2.gz OXHZIWUWFIAUTM-QHCPKHFHSA-N 1 3 394.563 4.140 20 0 GIADHO [NH3+]CCCOC1CCN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000569693575 822956022 /nfs/dbraw/zinc/95/60/22/822956022.db2.gz TUQLGBQLEPJYEV-UHFFFAOYSA-N 1 3 376.447 4.087 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1Cl ZINC000570025790 822998649 /nfs/dbraw/zinc/99/86/49/822998649.db2.gz JYXRBWINZYEJMY-QGZVFWFLSA-N 1 3 388.939 4.026 20 0 GIADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000060563545 823542734 /nfs/dbraw/zinc/54/27/34/823542734.db2.gz AUZAGWTZOVCDGS-QHCPKHFHSA-N 1 3 379.548 4.095 20 0 GIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123923046 823552109 /nfs/dbraw/zinc/55/21/09/823552109.db2.gz NHHITJKVEVWYSW-LJQANCHMSA-N 1 3 392.547 4.302 20 0 GIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123923046 823552113 /nfs/dbraw/zinc/55/21/13/823552113.db2.gz NHHITJKVEVWYSW-LJQANCHMSA-N 1 3 392.547 4.302 20 0 GIADHO CC[C@H](C)[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469072 823578453 /nfs/dbraw/zinc/57/84/53/823578453.db2.gz FMDOTQPCUUNTBI-HRAATJIYSA-N 1 3 379.976 4.006 20 0 GIADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(Cl)c3ccccc32)CC1 ZINC000411549758 823587602 /nfs/dbraw/zinc/58/76/02/823587602.db2.gz HSOYWSWLYPBEPQ-MRXNPFEDSA-N 1 3 387.955 4.133 20 0 GIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125746934 823703340 /nfs/dbraw/zinc/70/33/40/823703340.db2.gz QJUPPRMQDOBTLN-JKSUJKDBSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125746934 823703345 /nfs/dbraw/zinc/70/33/45/823703345.db2.gz QJUPPRMQDOBTLN-JKSUJKDBSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125746934 823703348 /nfs/dbraw/zinc/70/33/48/823703348.db2.gz QJUPPRMQDOBTLN-JKSUJKDBSA-N 1 3 385.474 4.133 20 0 GIADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164489662 823804763 /nfs/dbraw/zinc/80/47/63/823804763.db2.gz BRSYKZSAKXGUST-OAHLLOKOSA-N 1 3 396.373 4.020 20 0 GIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300040 823842362 /nfs/dbraw/zinc/84/23/62/823842362.db2.gz MDVZKDLRZFORBL-ICSRJNTNSA-N 1 3 391.559 4.132 20 0 GIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300408 823842605 /nfs/dbraw/zinc/84/26/05/823842605.db2.gz MDVZKDLRZFORBL-UYAOXDASSA-N 1 3 391.559 4.132 20 0 GIADHO COCc1cc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1OC ZINC000165324610 823843107 /nfs/dbraw/zinc/84/31/07/823843107.db2.gz ZNQFBVCIPIZPSW-FPOVZHCZSA-N 1 3 382.548 4.057 20 0 GIADHO CC(C)[N@H+](C)CC1CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000575785702 823995306 /nfs/dbraw/zinc/99/53/06/823995306.db2.gz WEAYFJIWISCTGC-UHFFFAOYSA-N 1 3 394.485 4.443 20 0 GIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000575785702 823995310 /nfs/dbraw/zinc/99/53/10/823995310.db2.gz WEAYFJIWISCTGC-UHFFFAOYSA-N 1 3 394.485 4.443 20 0 GIADHO CCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000414804467 824037667 /nfs/dbraw/zinc/03/76/67/824037667.db2.gz FDBLKXJCDXJVMW-CYBMUJFWSA-N 1 3 393.325 4.166 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)CC2)CC1 ZINC000570825601 823092263 /nfs/dbraw/zinc/09/22/63/823092263.db2.gz VEELZWQLTKTBNB-XMMPIXPASA-N 1 3 397.607 4.163 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc1 ZINC000571081422 823129076 /nfs/dbraw/zinc/12/90/76/823129076.db2.gz RZUDQROQWKGAIZ-QFIPXVFZSA-N 1 3 399.604 4.283 20 0 GIADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000187938105 823160990 /nfs/dbraw/zinc/16/09/90/823160990.db2.gz CRIYJSVEXKDCGR-INIZCTEOSA-N 1 3 381.545 4.044 20 0 GIADHO CC(C)N1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459471459 823199083 /nfs/dbraw/zinc/19/90/83/823199083.db2.gz TZLSLNKGXBACDU-RTWAWAEBSA-N 1 3 379.951 4.219 20 0 GIADHO CCC[C@H](CC1CCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460492830 823406964 /nfs/dbraw/zinc/40/69/64/823406964.db2.gz QIEDSSXMVKCXIQ-OAQYLSRUSA-N 1 3 377.617 4.050 20 0 GIADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427645 /nfs/dbraw/zinc/42/76/45/823427645.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 1 3 377.532 4.241 20 0 GIADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427650 /nfs/dbraw/zinc/42/76/50/823427650.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 1 3 377.532 4.241 20 0 GIADHO C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026368989 820090887 /nfs/dbraw/zinc/09/08/87/820090887.db2.gz MIJQWICDYADBFQ-QZTJIDSGSA-N 1 3 399.966 4.160 20 0 GIADHO CCOc1cccc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000182029186 822067616 /nfs/dbraw/zinc/06/76/16/822067616.db2.gz NOIHUURAQQCQIY-VDGAXYAQSA-N 1 3 386.536 4.250 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1CN1CCCCC1 ZINC000182204663 822146163 /nfs/dbraw/zinc/14/61/63/822146163.db2.gz ZJESYOUHXDGVQC-RXVVDRJESA-N 1 3 385.552 4.228 20 0 GIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242028 822163516 /nfs/dbraw/zinc/16/35/16/822163516.db2.gz GSUFOIDOLJZCMX-VWNXMTODSA-N 1 3 394.559 4.264 20 0 GIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242028 822163520 /nfs/dbraw/zinc/16/35/20/822163520.db2.gz GSUFOIDOLJZCMX-VWNXMTODSA-N 1 3 394.559 4.264 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)ccc1OC ZINC000182310538 822198191 /nfs/dbraw/zinc/19/81/91/822198191.db2.gz LSLRPYBYECBIJW-GOSISDBHSA-N 1 3 380.536 4.078 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977099 822266761 /nfs/dbraw/zinc/26/67/61/822266761.db2.gz QMSIJVSLDBCKGA-SFHVURJKSA-N 1 3 381.520 4.334 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977099 822266769 /nfs/dbraw/zinc/26/67/69/822266769.db2.gz QMSIJVSLDBCKGA-SFHVURJKSA-N 1 3 381.520 4.334 20 0 GIADHO CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178477892 822383305 /nfs/dbraw/zinc/38/33/05/822383305.db2.gz XLKQOCXDIVCCOM-SFHVURJKSA-N 1 3 383.536 4.072 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1CN1CCCCC1 ZINC000183081041 822422235 /nfs/dbraw/zinc/42/22/35/822422235.db2.gz ULHXEUKICCRSDQ-CVDCTZTESA-N 1 3 382.548 4.108 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000183320807 822458660 /nfs/dbraw/zinc/45/86/60/822458660.db2.gz JNMGUYFEZDGJFQ-XGCWNURASA-N 1 3 388.577 4.125 20 0 GIADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cn2cc(Cl)ccc2n1 ZINC000179389608 822475582 /nfs/dbraw/zinc/47/55/82/822475582.db2.gz AKEJOGUYWIIZCQ-UHFFFAOYSA-N 1 3 383.927 4.121 20 0 GIADHO Cc1cc2ncc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)c(C)n2n1 ZINC000179428138 822481274 /nfs/dbraw/zinc/48/12/74/822481274.db2.gz NQKGKXJWFYBHQX-IRFPFTSISA-N 1 3 389.547 4.192 20 0 GIADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3c2cccc3Br)c1 ZINC000180025121 822599416 /nfs/dbraw/zinc/59/94/16/822599416.db2.gz FKTCOHAVFNICGX-FQEVSTJZSA-N 1 3 389.337 4.167 20 0 GIADHO Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)n1 ZINC000180141224 822624964 /nfs/dbraw/zinc/62/49/64/822624964.db2.gz SWTJKJANPOMFKS-CWAQXLGLSA-N 1 3 390.575 4.144 20 0 GIADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455836240 822734288 /nfs/dbraw/zinc/73/42/88/822734288.db2.gz AVAWOKXJQIQUSF-BEVDRBHNSA-N 1 3 384.524 4.079 20 0 GIADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)ccc21 ZINC000455887884 822742776 /nfs/dbraw/zinc/74/27/76/822742776.db2.gz XGXGSKSGLOIRJZ-WOJBJXKFSA-N 1 3 398.576 4.256 20 0 GIADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CN1Cc1ccccc1 ZINC000455939939 822753727 /nfs/dbraw/zinc/75/37/27/822753727.db2.gz UAOZBFDLQCKKIZ-FHZYATBESA-N 1 3 392.547 4.020 20 0 GIADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000174868899 822848934 /nfs/dbraw/zinc/84/89/34/822848934.db2.gz URSUYPBPEVKLJR-JOCHJYFZSA-N 1 3 394.563 4.124 20 0 GIADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000174868899 822848938 /nfs/dbraw/zinc/84/89/38/822848938.db2.gz URSUYPBPEVKLJR-JOCHJYFZSA-N 1 3 394.563 4.124 20 0 GIADHO C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186345653 822879177 /nfs/dbraw/zinc/87/91/77/822879177.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 1 3 380.532 4.286 20 0 GIADHO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186345653 822879180 /nfs/dbraw/zinc/87/91/80/822879180.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 1 3 380.532 4.286 20 0 GIADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123494 823014106 /nfs/dbraw/zinc/01/41/06/823014106.db2.gz ARZIFKABABHEHD-LJQANCHMSA-N 1 3 391.559 4.117 20 0 GIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123494 823014108 /nfs/dbraw/zinc/01/41/08/823014108.db2.gz ARZIFKABABHEHD-LJQANCHMSA-N 1 3 391.559 4.117 20 0 GIADHO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000124730399 823621686 /nfs/dbraw/zinc/62/16/86/823621686.db2.gz QRUYBKQCARHWLL-AQNXPRMDSA-N 1 3 389.547 4.075 20 0 GIADHO C[C@@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000124767921 823624614 /nfs/dbraw/zinc/62/46/14/823624614.db2.gz LOSPUNKGJZPDPW-LJQANCHMSA-N 1 3 398.620 4.411 20 0 GIADHO CCN1CCC([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113586 823832244 /nfs/dbraw/zinc/83/22/44/823832244.db2.gz TXZJOQITIGZSBF-PXNSSMCTSA-N 1 3 383.502 4.162 20 0 GIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165334917 823844596 /nfs/dbraw/zinc/84/45/96/823844596.db2.gz XWLPFEQIRJURHB-UNMCSNQZSA-N 1 3 391.559 4.029 20 0 GIADHO c1cn(Cc2ccc(-c3ccccc3CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166484978 823878606 /nfs/dbraw/zinc/87/86/06/823878606.db2.gz IUSWJLFPNFSNGM-DNQXCXABSA-N 1 3 386.543 4.315 20 0 GIADHO c1cn(Cc2ccc(-c3ccccc3CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166484978 823878610 /nfs/dbraw/zinc/87/86/10/823878610.db2.gz IUSWJLFPNFSNGM-DNQXCXABSA-N 1 3 386.543 4.315 20 0 GIADHO OC1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000414310412 823955691 /nfs/dbraw/zinc/95/56/91/823955691.db2.gz SYWACNRTLWEDHM-QFIPXVFZSA-N 1 3 392.543 4.050 20 0 GIADHO Cc1nn(-c2cccc(F)c2)cc1CNC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000414357583 823964297 /nfs/dbraw/zinc/96/42/97/823964297.db2.gz DLJAMLSEXTWAIV-GOSISDBHSA-N 1 3 393.510 4.030 20 0 GIADHO Cc1nn(-c2cccc(F)c2)cc1CNC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000414357584 823964446 /nfs/dbraw/zinc/96/44/46/823964446.db2.gz DLJAMLSEXTWAIV-SFHVURJKSA-N 1 3 393.510 4.030 20 0 GIADHO NC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414807502 824037927 /nfs/dbraw/zinc/03/79/27/824037927.db2.gz RCOPZQITHVLVBX-GOSISDBHSA-N 1 3 378.303 4.073 20 0 GIADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414811190 824038289 /nfs/dbraw/zinc/03/82/89/824038289.db2.gz PBGNCQWMBMNBLH-NSHDSACASA-N 1 3 379.854 4.183 20 0 GIADHO CCC[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000187786400 823132854 /nfs/dbraw/zinc/13/28/54/823132854.db2.gz HDJUSAUCOGWJCQ-OAQYLSRUSA-N 1 3 385.577 4.205 20 0 GIADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000571516382 823194897 /nfs/dbraw/zinc/19/48/97/823194897.db2.gz MZMRUEJNDDOFGZ-OAQYLSRUSA-N 1 3 391.559 4.152 20 0 GIADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459522553 823210629 /nfs/dbraw/zinc/21/06/29/823210629.db2.gz IMOLLTBQDJDVKR-SFHVURJKSA-N 1 3 380.561 4.193 20 0 GIADHO Clc1cccc(CC[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000459593621 823226739 /nfs/dbraw/zinc/22/67/39/823226739.db2.gz QMJHESAAOUDURF-JOCHJYFZSA-N 1 3 398.978 4.401 20 0 GIADHO C[C@H](NCc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000459624118 823231734 /nfs/dbraw/zinc/23/17/34/823231734.db2.gz UKIOCZMRXDOJBW-HOTGVXAUSA-N 1 3 382.458 4.456 20 0 GIADHO CC(C)N1CCc2nc(C[NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)sc2C1 ZINC000459668348 823246397 /nfs/dbraw/zinc/24/63/97/823246397.db2.gz PMWLXARQEWUIIU-MLGOLLRUSA-N 1 3 379.932 4.348 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000572734023 823390667 /nfs/dbraw/zinc/39/06/67/823390667.db2.gz TVJCGLTZBBFVHY-JOCHJYFZSA-N 1 3 385.596 4.086 20 0 GIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000177226648 823404472 /nfs/dbraw/zinc/40/44/72/823404472.db2.gz UWRUYXZZBHINNZ-OAHLLOKOSA-N 1 3 377.326 4.240 20 0 GIADHO Cc1c(CNC2CC[NH+](CCc3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030909912 820707655 /nfs/dbraw/zinc/70/76/55/820707655.db2.gz DKGDZPMVKFBWEM-UHFFFAOYSA-N 1 3 394.588 4.413 20 0 GIADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(Cl)c4cccnc34)CC2)C[C@@H](C)O1 ZINC000060368360 823520531 /nfs/dbraw/zinc/52/05/31/823520531.db2.gz LMKAVXWHTZTIHW-IAGOWNOFSA-N 1 3 387.955 4.209 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643722 821380011 /nfs/dbraw/zinc/38/00/11/821380011.db2.gz WMBBUBJKLPVFNJ-KSSFIOAISA-N 1 3 379.331 4.411 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643722 821380022 /nfs/dbraw/zinc/38/00/22/821380022.db2.gz WMBBUBJKLPVFNJ-KSSFIOAISA-N 1 3 379.331 4.411 20 0 GIADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180903479 821527187 /nfs/dbraw/zinc/52/71/87/821527187.db2.gz ZMTIYLBYGJXLAR-UHFFFAOYSA-N 1 3 395.469 4.083 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(SC(F)F)cc1 ZINC000181415846 821813850 /nfs/dbraw/zinc/81/38/50/821813850.db2.gz MDEKSMWPZFHLCD-KYNGSXCRSA-N 1 3 384.536 4.420 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000181416655 821814604 /nfs/dbraw/zinc/81/46/04/821814604.db2.gz UVSOWZZBPZAJMV-JVPBZIDWSA-N 1 3 386.458 4.004 20 0 GIADHO CSc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000182240670 822162503 /nfs/dbraw/zinc/16/25/03/822162503.db2.gz XPJVBDWZJNUTSV-OXJNMPFZSA-N 1 3 388.552 4.355 20 0 GIADHO CSc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000182240670 822162508 /nfs/dbraw/zinc/16/25/08/822162508.db2.gz XPJVBDWZJNUTSV-OXJNMPFZSA-N 1 3 388.552 4.355 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1CN1CCCCC1 ZINC000182537001 822288784 /nfs/dbraw/zinc/28/87/84/822288784.db2.gz XJVCLEMDGFAPMM-HTAPYJJXSA-N 1 3 386.511 4.204 20 0 GIADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000178239861 822357554 /nfs/dbraw/zinc/35/75/54/822357554.db2.gz PSCQOKNVEAPHRC-YWZLYKJASA-N 1 3 391.437 4.099 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178712563 822404906 /nfs/dbraw/zinc/40/49/06/822404906.db2.gz OBQYVHZAYJRYJR-MRXNPFEDSA-N 1 3 394.401 4.128 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029522 822414177 /nfs/dbraw/zinc/41/41/77/822414177.db2.gz DRGPJAIPECPGND-IRXDYDNUSA-N 1 3 386.584 4.169 20 0 GIADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046007947 822433982 /nfs/dbraw/zinc/43/39/82/822433982.db2.gz UWWJWTRSSBGWCI-LJQANCHMSA-N 1 3 394.563 4.302 20 0 GIADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046007947 822433983 /nfs/dbraw/zinc/43/39/83/822433983.db2.gz UWWJWTRSSBGWCI-LJQANCHMSA-N 1 3 394.563 4.302 20 0 GIADHO COCCOc1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000569746774 822962777 /nfs/dbraw/zinc/96/27/77/822962777.db2.gz FJUTZKWTAMWHIN-QHCPKHFHSA-N 1 3 382.548 4.104 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563614 /nfs/dbraw/zinc/56/36/14/823563614.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 1 3 393.575 4.087 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563615 /nfs/dbraw/zinc/56/36/15/823563615.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 1 3 393.575 4.087 20 0 GIADHO C[C@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000124767686 823624645 /nfs/dbraw/zinc/62/46/45/823624645.db2.gz LOSPUNKGJZPDPW-IBGZPJMESA-N 1 3 398.620 4.411 20 0 GIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000191070238 823644882 /nfs/dbraw/zinc/64/48/82/823644882.db2.gz VODQUEROUZREPL-NRFANRHFSA-N 1 3 392.465 4.260 20 0 GIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000191070238 823644884 /nfs/dbraw/zinc/64/48/84/823644884.db2.gz VODQUEROUZREPL-NRFANRHFSA-N 1 3 392.465 4.260 20 0 GIADHO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnn1C(C)C ZINC000191268643 823665551 /nfs/dbraw/zinc/66/55/51/823665551.db2.gz KKLKIMUHFDFHER-IAGOWNOFSA-N 1 3 387.547 4.075 20 0 GIADHO C(=C/C[NH+]1CCC(c2ccncc2)CC1)\CN1CCC(c2ccncc2)CC1 ZINC000191643293 823722538 /nfs/dbraw/zinc/72/25/38/823722538.db2.gz JSOQYULEMAWMQR-OWOJBTEDSA-N 1 3 376.548 4.092 20 0 GIADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016586 823767344 /nfs/dbraw/zinc/76/73/44/823767344.db2.gz CWCFIWSJPCPCCC-DYESRHJHSA-N 1 3 394.625 4.420 20 0 GIADHO CN1CC[NH+](CC2CCN(Cc3ccc(Oc4cccc(F)c4)cc3)CC2)CC1 ZINC000574677457 823797997 /nfs/dbraw/zinc/79/79/97/823797997.db2.gz FEMBKAXPGQZMOT-UHFFFAOYSA-N 1 3 397.538 4.077 20 0 GIADHO COCc1cc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1OC ZINC000165324974 823844008 /nfs/dbraw/zinc/84/40/08/823844008.db2.gz ZNQFBVCIPIZPSW-TZIWHRDSSA-N 1 3 382.548 4.057 20 0 GIADHO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007650 823885703 /nfs/dbraw/zinc/88/57/03/823885703.db2.gz JILZHXVVYKZISQ-DYESRHJHSA-N 1 3 399.604 4.339 20 0 GIADHO COc1ccc(Cl)cc1[C@H](C)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296377 823953748 /nfs/dbraw/zinc/95/37/48/823953748.db2.gz FIWJUHXCZYMGOQ-KRWDZBQOSA-N 1 3 388.939 4.026 20 0 GIADHO c1csc(CN2CCC[C@@H](C[NH2+]C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000126803351 823955267 /nfs/dbraw/zinc/95/52/67/823955267.db2.gz IFBSVAUJZFZWLM-QFIPXVFZSA-N 1 3 397.632 4.257 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846566 823965286 /nfs/dbraw/zinc/96/52/86/823965286.db2.gz WTUDDAQIRSQSSA-XOWTYJCDSA-N 1 3 376.591 4.048 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846566 823965294 /nfs/dbraw/zinc/96/52/94/823965294.db2.gz WTUDDAQIRSQSSA-XOWTYJCDSA-N 1 3 376.591 4.048 20 0 GIADHO C/C(=C\c1ccccc1OC(F)F)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000570612356 823062262 /nfs/dbraw/zinc/06/22/62/823062262.db2.gz YBVIBEILZGNSGJ-FBMGVBCBSA-N 1 3 394.506 4.268 20 0 GIADHO COc1cc(OC)c([C@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)cc1Cl ZINC000120963106 823093841 /nfs/dbraw/zinc/09/38/41/823093841.db2.gz SQNJEDRQVGNMTA-ZDUSSCGKSA-N 1 3 380.891 4.409 20 0 GIADHO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1Cl ZINC000120963106 823093848 /nfs/dbraw/zinc/09/38/48/823093848.db2.gz SQNJEDRQVGNMTA-ZDUSSCGKSA-N 1 3 380.891 4.409 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cc(C)ccc3C)CC2)CC1 ZINC000570863699 823098068 /nfs/dbraw/zinc/09/80/68/823098068.db2.gz YNZINQGVDAASJS-DEOSSOPVSA-N 1 3 397.607 4.163 20 0 GIADHO CCC(CC)[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570939045 823110127 /nfs/dbraw/zinc/11/01/27/823110127.db2.gz CFMLAMKMUWGZIB-DEOSSOPVSA-N 1 3 399.623 4.476 20 0 GIADHO CCC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710653 823117854 /nfs/dbraw/zinc/11/78/54/823117854.db2.gz SFTQQTXXQUCVJW-FPOVZHCZSA-N 1 3 385.577 4.076 20 0 GIADHO CCC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710653 823117855 /nfs/dbraw/zinc/11/78/55/823117855.db2.gz SFTQQTXXQUCVJW-FPOVZHCZSA-N 1 3 385.577 4.076 20 0 GIADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571207875 823148722 /nfs/dbraw/zinc/14/87/22/823148722.db2.gz LHZSRJCMGLPPOA-UHFFFAOYSA-N 1 3 375.557 4.012 20 0 GIADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571207875 823148727 /nfs/dbraw/zinc/14/87/27/823148727.db2.gz LHZSRJCMGLPPOA-UHFFFAOYSA-N 1 3 375.557 4.012 20 0 GIADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1cccs1 ZINC000571366380 823172372 /nfs/dbraw/zinc/17/23/72/823172372.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 1 3 386.561 4.393 20 0 GIADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1cccs1 ZINC000571366380 823172373 /nfs/dbraw/zinc/17/23/73/823172373.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 1 3 386.561 4.393 20 0 GIADHO c1cc2c(s1)CCN([C@@H](CNC1CC[NH+](C3CC3)CC1)c1ccccc1)C2 ZINC000459385079 823179605 /nfs/dbraw/zinc/17/96/05/823179605.db2.gz ZFDSVZCJDXIWFH-QFIPXVFZSA-N 1 3 381.589 4.064 20 0 GIADHO c1cc2c(s1)CCN([C@H](CNC1CC[NH+](C3CC3)CC1)c1ccccc1)C2 ZINC000459385078 823179696 /nfs/dbraw/zinc/17/96/96/823179696.db2.gz ZFDSVZCJDXIWFH-JOCHJYFZSA-N 1 3 381.589 4.064 20 0 GIADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000459522528 823210678 /nfs/dbraw/zinc/21/06/78/823210678.db2.gz IMOLLTBQDJDVKR-GOSISDBHSA-N 1 3 380.561 4.193 20 0 GIADHO Clc1cccc(CC[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000459593628 823226661 /nfs/dbraw/zinc/22/66/61/823226661.db2.gz QMJHESAAOUDURF-QFIPXVFZSA-N 1 3 398.978 4.401 20 0 GIADHO C[NH+](C)C1CCN(CCN[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180711825 821410847 /nfs/dbraw/zinc/41/08/47/821410847.db2.gz SMOSLNPBDFAVMQ-QFIPXVFZSA-N 1 3 389.946 4.184 20 0 GIADHO CC1(C)C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000180975296 821567410 /nfs/dbraw/zinc/56/74/10/821567410.db2.gz KLQLSMMSJJWSDL-QHCPKHFHSA-N 1 3 391.559 4.024 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)on1 ZINC000181134335 821654429 /nfs/dbraw/zinc/65/44/29/821654429.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 1 3 379.504 4.418 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)on1 ZINC000181134335 821654438 /nfs/dbraw/zinc/65/44/38/821654438.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 1 3 379.504 4.418 20 0 GIADHO CC(=O)Nc1ccc([C@H](C)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000182122011 822103505 /nfs/dbraw/zinc/10/35/05/822103505.db2.gz BELRUTIFCZEOQW-QRVBRYPASA-N 1 3 379.548 4.452 20 0 GIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000182230211 822157610 /nfs/dbraw/zinc/15/76/10/822157610.db2.gz PWGIKVMNENHITL-CTNGQTDRSA-N 1 3 386.536 4.109 20 0 GIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000182230211 822157617 /nfs/dbraw/zinc/15/76/17/822157617.db2.gz PWGIKVMNENHITL-CTNGQTDRSA-N 1 3 386.536 4.109 20 0 GIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182247403 822166734 /nfs/dbraw/zinc/16/67/34/822166734.db2.gz ZVVZLCXGSPPWAP-AUSIDOKSSA-N 1 3 382.548 4.281 20 0 GIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182247403 822166739 /nfs/dbraw/zinc/16/67/39/822166739.db2.gz ZVVZLCXGSPPWAP-AUSIDOKSSA-N 1 3 382.548 4.281 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262463 822176002 /nfs/dbraw/zinc/17/60/02/822176002.db2.gz JKJAVRGBPKBFEN-AZUAARDMSA-N 1 3 388.964 4.233 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262463 822176009 /nfs/dbraw/zinc/17/60/09/822176009.db2.gz JKJAVRGBPKBFEN-AZUAARDMSA-N 1 3 388.964 4.233 20 0 GIADHO COc1cc([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977668 822266661 /nfs/dbraw/zinc/26/66/61/822266661.db2.gz ZZOUCHVTBKKKLA-KRWDZBQOSA-N 1 3 386.536 4.403 20 0 GIADHO COc1cc([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977668 822266672 /nfs/dbraw/zinc/26/66/72/822266672.db2.gz ZZOUCHVTBKKKLA-KRWDZBQOSA-N 1 3 386.536 4.403 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977112 822266843 /nfs/dbraw/zinc/26/68/43/822266843.db2.gz QMSIJVSLDBCKGA-GOSISDBHSA-N 1 3 381.520 4.334 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977112 822266850 /nfs/dbraw/zinc/26/68/50/822266850.db2.gz QMSIJVSLDBCKGA-GOSISDBHSA-N 1 3 381.520 4.334 20 0 GIADHO COc1cc(C)c([C@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036874 822292825 /nfs/dbraw/zinc/29/28/25/822292825.db2.gz OXJQKMRSVAFTKZ-MSOLQXFVSA-N 1 3 386.536 4.364 20 0 GIADHO Cc1nc(C)c([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000178211536 822353690 /nfs/dbraw/zinc/35/36/90/822353690.db2.gz NTCMJCNUHRLZHU-SFHVURJKSA-N 1 3 386.609 4.009 20 0 GIADHO Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178254975 822359118 /nfs/dbraw/zinc/35/91/18/822359118.db2.gz YBRMCEVITCVICK-SFHVURJKSA-N 1 3 379.342 4.127 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1CN1CCCCC1 ZINC000182825815 822373946 /nfs/dbraw/zinc/37/39/46/822373946.db2.gz MSRBXANKMWHZLL-MOPGFXCFSA-N 1 3 384.568 4.173 20 0 GIADHO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1 ZINC000182944038 822397507 /nfs/dbraw/zinc/39/75/07/822397507.db2.gz UYNVOQPOZTZMEC-MBSDFSHPSA-N 1 3 398.547 4.074 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)ccc1OC ZINC000183006451 822410128 /nfs/dbraw/zinc/41/01/28/822410128.db2.gz NPLNYOLWHBVMFS-KKSFZXQISA-N 1 3 376.566 4.157 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1CN1CCCCC1 ZINC000183011127 822410910 /nfs/dbraw/zinc/41/09/10/822410910.db2.gz XMQARUXLAQPRND-VGSWGCGISA-N 1 3 388.577 4.301 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029504 822414088 /nfs/dbraw/zinc/41/40/88/822414088.db2.gz DRGPJAIPECPGND-DLBZAZTESA-N 1 3 386.584 4.169 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029542 822414230 /nfs/dbraw/zinc/41/42/30/822414230.db2.gz DRGPJAIPECPGND-IAGOWNOFSA-N 1 3 386.584 4.169 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1CN1CCCCC1 ZINC000183146726 822431034 /nfs/dbraw/zinc/43/10/34/822431034.db2.gz GTQIIDMTQRWLAD-LQWHRVPQSA-N 1 3 386.536 4.437 20 0 GIADHO Cc1cccc(C)c1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391585 822476139 /nfs/dbraw/zinc/47/61/39/822476139.db2.gz HALNBGJJXAYPMU-FQEVSTJZSA-N 1 3 394.563 4.264 20 0 GIADHO Cn1cc([C@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)cn1 ZINC000180235637 822645477 /nfs/dbraw/zinc/64/54/77/822645477.db2.gz PBUCWJYNMOPODS-XMMPIXPASA-N 1 3 392.522 4.150 20 0 GIADHO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000186154340 822856378 /nfs/dbraw/zinc/85/63/78/822856378.db2.gz YYHAHBAKXCLWND-LSDHHAIUSA-N 1 3 377.529 4.059 20 0 GIADHO CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000570322598 823025788 /nfs/dbraw/zinc/02/57/88/823025788.db2.gz DHUPJYKPBXOVNT-ZLHNRXBCSA-N 1 3 386.580 4.390 20 0 GIADHO CC1CCN(C(=O)C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000411171621 823554164 /nfs/dbraw/zinc/55/41/64/823554164.db2.gz JHWQHLKCWQLMRT-UHFFFAOYSA-N 1 3 397.607 4.143 20 0 GIADHO CCC[NH+]1CCC(N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411308155 823563827 /nfs/dbraw/zinc/56/38/27/823563827.db2.gz OKVHNQWVFFPNIP-UHFFFAOYSA-N 1 3 393.575 4.089 20 0 GIADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)CC1 ZINC000061070183 823576784 /nfs/dbraw/zinc/57/67/84/823576784.db2.gz GDQYTOCCFFELQH-UHFFFAOYSA-N 1 3 379.573 4.329 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000125122964 823653040 /nfs/dbraw/zinc/65/30/40/823653040.db2.gz GCJMBKDNWKEXCQ-HXUWFJFHSA-N 1 3 389.547 4.494 20 0 GIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000163922551 823761708 /nfs/dbraw/zinc/76/17/08/823761708.db2.gz QHEVFLOMHLVIAO-LJQANCHMSA-N 1 3 393.531 4.480 20 0 GIADHO Cc1cccc([C@@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000163973734 823767298 /nfs/dbraw/zinc/76/72/98/823767298.db2.gz DPECGAFBZJLNOI-HXUWFJFHSA-N 1 3 382.548 4.335 20 0 GIADHO Cc1cccc([C@@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000163973734 823767304 /nfs/dbraw/zinc/76/73/04/823767304.db2.gz DPECGAFBZJLNOI-HXUWFJFHSA-N 1 3 382.548 4.335 20 0 GIADHO CCn1nccc1CC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000574620491 823783888 /nfs/dbraw/zinc/78/38/88/823783888.db2.gz PJQFHGUNTDLHII-UHFFFAOYSA-N 1 3 394.485 4.061 20 0 GIADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1OC ZINC000165297000 823842503 /nfs/dbraw/zinc/84/25/03/823842503.db2.gz KXPAZUWKPQIKQG-CTNGQTDRSA-N 1 3 382.548 4.227 20 0 GIADHO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000126711353 823932991 /nfs/dbraw/zinc/93/29/91/823932991.db2.gz QKTLGGMIQDMRNH-CABCVRRESA-N 1 3 377.454 4.268 20 0 GIADHO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126719141 823934602 /nfs/dbraw/zinc/93/46/02/823934602.db2.gz DGYKYBGKTNUOJD-FQEVSTJZSA-N 1 3 381.564 4.072 20 0 GIADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805175 824037892 /nfs/dbraw/zinc/03/78/92/824037892.db2.gz AEXVPDDYKJRYOR-YPMHNXCESA-N 1 3 379.854 4.183 20 0 GIADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854240 824042589 /nfs/dbraw/zinc/04/25/89/824042589.db2.gz USPHTXAZSIQYJN-YPMHNXCESA-N 1 3 379.854 4.039 20 0 GIADHO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(CN(C)C)ccn4)CC3)CC2)cc1 ZINC001164759595 721046737 /nfs/dbraw/zinc/04/67/37/721046737.db2.gz PIRNUXVZCBDCAP-UHFFFAOYSA-N 1 3 392.591 4.334 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cc(C)ccc3C)CC2)CC1 ZINC000570863700 823098010 /nfs/dbraw/zinc/09/80/10/823098010.db2.gz YNZINQGVDAASJS-XMMPIXPASA-N 1 3 397.607 4.163 20 0 GIADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)CN1CCCCC1 ZINC000121106702 823119760 /nfs/dbraw/zinc/11/97/60/823119760.db2.gz ZMFWRQMJPKOHSX-HOTGVXAUSA-N 1 3 385.474 4.134 20 0 GIADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000121106702 823119761 /nfs/dbraw/zinc/11/97/61/823119761.db2.gz ZMFWRQMJPKOHSX-HOTGVXAUSA-N 1 3 385.474 4.134 20 0 GIADHO C[C@H]1C[N@H+](CCCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545046 823198399 /nfs/dbraw/zinc/19/83/99/823198399.db2.gz NURBCKLCEVIHIU-HNAYVOBHSA-N 1 3 386.458 4.127 20 0 GIADHO C[C@H]1C[N@@H+](CCCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545046 823198403 /nfs/dbraw/zinc/19/84/03/823198403.db2.gz NURBCKLCEVIHIU-HNAYVOBHSA-N 1 3 386.458 4.127 20 0 GIADHO C[C@@H]1C[N@H+](CCCN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545042 823198459 /nfs/dbraw/zinc/19/84/59/823198459.db2.gz NURBCKLCEVIHIU-BEFAXECRSA-N 1 3 386.458 4.127 20 0 GIADHO C[C@@H]1C[N@@H+](CCCN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545042 823198461 /nfs/dbraw/zinc/19/84/61/823198461.db2.gz NURBCKLCEVIHIU-BEFAXECRSA-N 1 3 386.458 4.127 20 0 GIADHO CCc1nnc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000459523907 823211081 /nfs/dbraw/zinc/21/10/81/823211081.db2.gz AAERDKLTTXISDG-NRFANRHFSA-N 1 3 382.552 4.289 20 0 GIADHO CN(C)c1ccc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000122323966 823338187 /nfs/dbraw/zinc/33/81/87/823338187.db2.gz IATAXVQYMYRPIO-UHFFFAOYSA-N 1 3 384.612 4.108 20 0 GIADHO CC[C@H](CN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000572540558 823357516 /nfs/dbraw/zinc/35/75/16/823357516.db2.gz GDXNDQSCKMBSEW-OAQYLSRUSA-N 1 3 399.623 4.225 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000123008806 823447376 /nfs/dbraw/zinc/44/73/76/823447376.db2.gz FZERTHIWKLEKKH-GOSISDBHSA-N 1 3 379.504 4.090 20 0 GIADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475754 823471299 /nfs/dbraw/zinc/47/12/99/823471299.db2.gz YJIACTFZVIZABQ-HYBUGGRVSA-N 1 3 391.559 4.065 20 0 GIADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475754 823471302 /nfs/dbraw/zinc/47/13/02/823471302.db2.gz YJIACTFZVIZABQ-HYBUGGRVSA-N 1 3 391.559 4.065 20 0 GIADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475771 823471442 /nfs/dbraw/zinc/47/14/42/823471442.db2.gz YJIACTFZVIZABQ-GBXCKJPGSA-N 1 3 391.559 4.065 20 0 GIADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475771 823471447 /nfs/dbraw/zinc/47/14/47/823471447.db2.gz YJIACTFZVIZABQ-GBXCKJPGSA-N 1 3 391.559 4.065 20 0 GIADHO CN(c1ccccc1CNCc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC000177558553 823490944 /nfs/dbraw/zinc/49/09/44/823490944.db2.gz KBUISURAZPPWOG-UHFFFAOYSA-N 1 3 389.490 4.108 20 0 GIADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1Br ZINC000123582573 823523559 /nfs/dbraw/zinc/52/35/59/823523559.db2.gz JCCNXLJQNAKINU-CQSZACIVSA-N 1 3 377.326 4.370 20 0 GIADHO CC1CC[NH+](C2CCC(N[C@@H](c3cnn(C)c3)c3cccc(F)c3)CC2)CC1 ZINC000181003796 821587309 /nfs/dbraw/zinc/58/73/09/821587309.db2.gz SYTXZVIRQIMRJK-XPPIMPSXSA-N 1 3 384.543 4.281 20 0 GIADHO C[C@@H](NCc1ccccc1N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181265782 821724284 /nfs/dbraw/zinc/72/42/84/821724284.db2.gz JRDFNUXUVMZNAO-HXUWFJFHSA-N 1 3 381.564 4.468 20 0 GIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000182230192 822157791 /nfs/dbraw/zinc/15/77/91/822157791.db2.gz PWGIKVMNENHITL-TZIWHRDSSA-N 1 3 386.536 4.109 20 0 GIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000182230192 822157796 /nfs/dbraw/zinc/15/77/96/822157796.db2.gz PWGIKVMNENHITL-TZIWHRDSSA-N 1 3 386.536 4.109 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238948 822162137 /nfs/dbraw/zinc/16/21/37/822162137.db2.gz OYAPLSBAMUZKGM-OXJNMPFZSA-N 1 3 381.545 4.104 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238948 822162144 /nfs/dbraw/zinc/16/21/44/822162144.db2.gz OYAPLSBAMUZKGM-OXJNMPFZSA-N 1 3 381.545 4.104 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263539 822176862 /nfs/dbraw/zinc/17/68/62/822176862.db2.gz OMYZGZXTYHIIQX-YJBOKZPZSA-N 1 3 378.438 4.123 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263539 822176868 /nfs/dbraw/zinc/17/68/68/822176868.db2.gz OMYZGZXTYHIIQX-YJBOKZPZSA-N 1 3 378.438 4.123 20 0 GIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182273393 822181931 /nfs/dbraw/zinc/18/19/31/822181931.db2.gz JSVMHYULUGLPLZ-BEFAXECRSA-N 1 3 387.593 4.166 20 0 GIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182273393 822181942 /nfs/dbraw/zinc/18/19/42/822181942.db2.gz JSVMHYULUGLPLZ-BEFAXECRSA-N 1 3 387.593 4.166 20 0 GIADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1CN1CCCCC1 ZINC000182311938 822199064 /nfs/dbraw/zinc/19/90/64/822199064.db2.gz AWTJYCHERCFVPT-KRWDZBQOSA-N 1 3 396.535 4.023 20 0 GIADHO C[C@@H](NCc1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178162368 822337484 /nfs/dbraw/zinc/33/74/84/822337484.db2.gz ACFJBSYJFGQGJS-OAHLLOKOSA-N 1 3 377.326 4.240 20 0 GIADHO C[C@H](Nc1cccc(CN2CCSCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182804280 822370231 /nfs/dbraw/zinc/37/02/31/822370231.db2.gz LGFXGYCTPDNEDD-IBGZPJMESA-N 1 3 399.604 4.349 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)ccc1OC ZINC000183011032 822410904 /nfs/dbraw/zinc/41/09/04/822410904.db2.gz TVUIKSWMRYTVOZ-IERDGZPVSA-N 1 3 376.566 4.157 20 0 GIADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1CN1CCCCC1 ZINC000183387944 822467256 /nfs/dbraw/zinc/46/72/56/822467256.db2.gz YMOKPRQKXAWJJE-KNQAVFIVSA-N 1 3 394.563 4.006 20 0 GIADHO Cc1cccc(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179388406 822475296 /nfs/dbraw/zinc/47/52/96/822475296.db2.gz WRFMKGUKSGPZLH-FQEVSTJZSA-N 1 3 394.563 4.264 20 0 GIADHO Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000180176218 822632798 /nfs/dbraw/zinc/63/27/98/822632798.db2.gz AQOWXUVQCNYKRG-BHIFYINESA-N 1 3 388.559 4.006 20 0 GIADHO CN1CCC[N@H+](CCCN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180466945 822687400 /nfs/dbraw/zinc/68/74/00/822687400.db2.gz UQROLVDVZLFPLQ-JOCHJYFZSA-N 1 3 389.946 4.186 20 0 GIADHO CN1CCC[N@@H+](CCCN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180466945 822687403 /nfs/dbraw/zinc/68/74/03/822687403.db2.gz UQROLVDVZLFPLQ-JOCHJYFZSA-N 1 3 389.946 4.186 20 0 GIADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404721 822785613 /nfs/dbraw/zinc/78/56/13/822785613.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 1 3 385.939 4.123 20 0 GIADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404721 822785615 /nfs/dbraw/zinc/78/56/15/822785615.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 1 3 385.939 4.123 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456253518 822790356 /nfs/dbraw/zinc/79/03/56/822790356.db2.gz BDOYPCSNOZNXJQ-FQEVSTJZSA-N 1 3 377.488 4.296 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456253519 822790389 /nfs/dbraw/zinc/79/03/89/822790389.db2.gz BDOYPCSNOZNXJQ-HXUWFJFHSA-N 1 3 377.488 4.296 20 0 GIADHO CC1(C)OCc2cc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372426 822883683 /nfs/dbraw/zinc/88/36/83/822883683.db2.gz SHRDBEDQHUAWEC-SFHVURJKSA-N 1 3 386.561 4.395 20 0 GIADHO CC1(C)OCc2cc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372426 822883688 /nfs/dbraw/zinc/88/36/88/822883688.db2.gz SHRDBEDQHUAWEC-SFHVURJKSA-N 1 3 386.561 4.395 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)ccc1OC ZINC000186484527 822902950 /nfs/dbraw/zinc/90/29/50/822902950.db2.gz NXFIRQABGURUNE-SFHVURJKSA-N 1 3 394.563 4.317 20 0 GIADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cccc(Cl)c1 ZINC000570222744 823016624 /nfs/dbraw/zinc/01/66/24/823016624.db2.gz FIMNPAFRINZNLC-NRFANRHFSA-N 1 3 391.987 4.104 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564160 /nfs/dbraw/zinc/56/41/60/823564160.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 1 3 399.604 4.148 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564164 /nfs/dbraw/zinc/56/41/64/823564164.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 1 3 399.604 4.148 20 0 GIADHO C[C@@H]1C[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000411423729 823572571 /nfs/dbraw/zinc/57/25/71/823572571.db2.gz YLQZAIMASBEDDV-YGOYIFOWSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H]1C[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000411423729 823572572 /nfs/dbraw/zinc/57/25/72/823572572.db2.gz YLQZAIMASBEDDV-YGOYIFOWSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411492901 823581076 /nfs/dbraw/zinc/58/10/76/823581076.db2.gz DOJRGFCOCQNSDJ-VIZSFHNOSA-N 1 3 383.580 4.150 20 0 GIADHO C[C@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512209 823582734 /nfs/dbraw/zinc/58/27/34/823582734.db2.gz APIIFRVKQLFXCE-GJZGRUSLSA-N 1 3 381.923 4.050 20 0 GIADHO C[C@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512209 823582739 /nfs/dbraw/zinc/58/27/39/823582739.db2.gz APIIFRVKQLFXCE-GJZGRUSLSA-N 1 3 381.923 4.050 20 0 GIADHO O[C@H](COc1ccc2ccccc2c1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735376 823610238 /nfs/dbraw/zinc/61/02/38/823610238.db2.gz SCQUSIBPDABWEE-DEOSSOPVSA-N 1 3 396.575 4.168 20 0 GIADHO CC[C@@H](C)N[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328626 823646748 /nfs/dbraw/zinc/64/67/48/823646748.db2.gz CKSMTBIXQYIVIJ-WIYYLYMNSA-N 1 3 383.536 4.125 20 0 GIADHO CCN1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000063917576 823711563 /nfs/dbraw/zinc/71/15/63/823711563.db2.gz OXAULOFKAWDMPP-HXUWFJFHSA-N 1 3 394.588 4.481 20 0 GIADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517678 823754261 /nfs/dbraw/zinc/75/42/61/823754261.db2.gz HQIAWIIEPUPDOD-XMMPIXPASA-N 1 3 394.559 4.136 20 0 GIADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517678 823754267 /nfs/dbraw/zinc/75/42/67/823754267.db2.gz HQIAWIIEPUPDOD-XMMPIXPASA-N 1 3 394.559 4.136 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000163948798 823765014 /nfs/dbraw/zinc/76/50/14/823765014.db2.gz USOWAYBFWZGKAZ-IBGZPJMESA-N 1 3 375.520 4.104 20 0 GIADHO CSCc1cc(F)ccc1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167114006 823886419 /nfs/dbraw/zinc/88/64/19/823886419.db2.gz FQJFZDPIZOOECR-MRXNPFEDSA-N 1 3 376.541 4.480 20 0 GIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126718902 823934761 /nfs/dbraw/zinc/93/47/61/823934761.db2.gz DGYKYBGKTNUOJD-HXUWFJFHSA-N 1 3 381.564 4.072 20 0 GIADHO CCOc1ccccc1[C@H](C)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126749951 823941303 /nfs/dbraw/zinc/94/13/03/823941303.db2.gz QNZRBTQPZAJYJB-ROUUACIJSA-N 1 3 385.527 4.388 20 0 GIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000414298335 823953787 /nfs/dbraw/zinc/95/37/87/823953787.db2.gz GYPSOYZOEIRZKF-HXUWFJFHSA-N 1 3 382.548 4.152 20 0 GIADHO Fc1ccc(N2CC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342627 823961802 /nfs/dbraw/zinc/96/18/02/823961802.db2.gz ITUBULANWGMBDZ-HIGZBPRKSA-N 1 3 379.523 4.190 20 0 GIADHO Fc1ccc(N2CC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342627 823961810 /nfs/dbraw/zinc/96/18/10/823961810.db2.gz ITUBULANWGMBDZ-HIGZBPRKSA-N 1 3 379.523 4.190 20 0 GIADHO C[C@H]([NH3+])c1ccc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000414807240 824037819 /nfs/dbraw/zinc/03/78/19/824037819.db2.gz CJQZSGPIDVAASS-KRWDZBQOSA-N 1 3 375.520 4.370 20 0 GIADHO CCOc1c(Br)cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414808129 824038357 /nfs/dbraw/zinc/03/83/57/824038357.db2.gz KGOYNVATLMVJFX-CYBMUJFWSA-N 1 3 393.325 4.166 20 0 GIADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000056495158 823159139 /nfs/dbraw/zinc/15/91/39/823159139.db2.gz WTHCWDXMQQBWAC-UHFFFAOYSA-N 1 3 385.596 4.257 20 0 GIADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000056495158 823159143 /nfs/dbraw/zinc/15/91/43/823159143.db2.gz WTHCWDXMQQBWAC-UHFFFAOYSA-N 1 3 385.596 4.257 20 0 GIADHO CC(C)N1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459471461 823199224 /nfs/dbraw/zinc/19/92/24/823199224.db2.gz TZLSLNKGXBACDU-SFTDATJTSA-N 1 3 379.951 4.219 20 0 GIADHO C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122403476 823349943 /nfs/dbraw/zinc/34/99/43/823349943.db2.gz QJZILXBXOCOIHU-SFHVURJKSA-N 1 3 395.547 4.216 20 0 GIADHO C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122403738 823349987 /nfs/dbraw/zinc/34/99/87/823349987.db2.gz QJZILXBXOCOIHU-GOSISDBHSA-N 1 3 395.547 4.216 20 0 GIADHO CC(C)c1ccccc1OC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058579824 823412212 /nfs/dbraw/zinc/41/22/12/823412212.db2.gz KZIVJMMCIDQUGT-JOCHJYFZSA-N 1 3 388.596 4.138 20 0 GIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000410345913 823468693 /nfs/dbraw/zinc/46/86/93/823468693.db2.gz TULBBYSUZMINOX-IBGZPJMESA-N 1 3 394.563 4.444 20 0 GIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000410345913 823468696 /nfs/dbraw/zinc/46/86/96/823468696.db2.gz TULBBYSUZMINOX-IBGZPJMESA-N 1 3 394.563 4.444 20 0 GIADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000060368358 823520487 /nfs/dbraw/zinc/52/04/87/823520487.db2.gz LMKAVXWHTZTIHW-CALCHBBNSA-N 1 3 387.955 4.209 20 0 GIADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000060368358 823520489 /nfs/dbraw/zinc/52/04/89/823520489.db2.gz LMKAVXWHTZTIHW-CALCHBBNSA-N 1 3 387.955 4.209 20 0 GIADHO C[NH+](C)C1CCN(CCN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180712539 821411528 /nfs/dbraw/zinc/41/15/28/821411528.db2.gz QIVQCTLQIDWQAT-JOCHJYFZSA-N 1 3 389.946 4.184 20 0 GIADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044277395 821558582 /nfs/dbraw/zinc/55/85/82/821558582.db2.gz DTTKNAIJDNQXNQ-UHFFFAOYSA-N 1 3 380.536 4.056 20 0 GIADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000181204665 821695665 /nfs/dbraw/zinc/69/56/65/821695665.db2.gz NMZMGMMPRFONMX-SFHVURJKSA-N 1 3 398.620 4.010 20 0 GIADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000181670493 821935652 /nfs/dbraw/zinc/93/56/52/821935652.db2.gz OBYSNEHARDYMKQ-JOCHJYFZSA-N 1 3 381.564 4.245 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268456 822180011 /nfs/dbraw/zinc/18/00/11/822180011.db2.gz TVDKXXPGKKXLKN-QRWLVFNGSA-N 1 3 378.438 4.123 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268456 822180017 /nfs/dbraw/zinc/18/00/17/822180017.db2.gz TVDKXXPGKKXLKN-QRWLVFNGSA-N 1 3 378.438 4.123 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1CN1CCCCC1 ZINC000182310666 822198405 /nfs/dbraw/zinc/19/84/05/822198405.db2.gz VSPZGUZJXJQZDX-LJQANCHMSA-N 1 3 392.547 4.222 20 0 GIADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000178239870 822357486 /nfs/dbraw/zinc/35/74/86/822357486.db2.gz PSCQOKNVEAPHRC-QRWLVFNGSA-N 1 3 391.437 4.099 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1CN1CCCCC1 ZINC000183081079 822422221 /nfs/dbraw/zinc/42/22/21/822422221.db2.gz ULHXEUKICCRSDQ-WMZHIEFXSA-N 1 3 382.548 4.108 20 0 GIADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007945 822433804 /nfs/dbraw/zinc/43/38/04/822433804.db2.gz JUEBRGJROSXLKH-IBGZPJMESA-N 1 3 394.563 4.444 20 0 GIADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007945 822433805 /nfs/dbraw/zinc/43/38/05/822433805.db2.gz JUEBRGJROSXLKH-IBGZPJMESA-N 1 3 394.563 4.444 20 0 GIADHO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000179121687 822440567 /nfs/dbraw/zinc/44/05/67/822440567.db2.gz XVNVTEXFQYXSRM-LSDHHAIUSA-N 1 3 376.907 4.038 20 0 GIADHO C[C@@H](c1ccccc1Cl)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179309724 822464151 /nfs/dbraw/zinc/46/41/51/822464151.db2.gz RNGDWBBAQDOQAZ-SFHVURJKSA-N 1 3 391.987 4.105 20 0 GIADHO Fc1ccc(-c2nc(CCNC3CC[NH+](CCc4ccccc4)CC3)co2)cc1 ZINC000179454070 822485382 /nfs/dbraw/zinc/48/53/82/822485382.db2.gz VWJXYDIQKYDASS-UHFFFAOYSA-N 1 3 393.506 4.320 20 0 GIADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000455899051 822744795 /nfs/dbraw/zinc/74/47/95/822744795.db2.gz FIGMIYFFNQXPHL-XZOQPEGZSA-N 1 3 392.547 4.194 20 0 GIADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942359 822754431 /nfs/dbraw/zinc/75/44/31/822754431.db2.gz VDEWURGFHZGDIX-FRGLQRNOSA-N 1 3 392.547 4.193 20 0 GIADHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784310 /nfs/dbraw/zinc/78/43/10/822784310.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 1 3 390.474 4.251 20 0 GIADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784312 /nfs/dbraw/zinc/78/43/12/822784312.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 1 3 390.474 4.251 20 0 GIADHO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000186154323 822856306 /nfs/dbraw/zinc/85/63/06/822856306.db2.gz YYHAHBAKXCLWND-CABCVRRESA-N 1 3 377.529 4.059 20 0 GIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977424 823557483 /nfs/dbraw/zinc/55/74/83/823557483.db2.gz CQPVOEOYVVJKHY-IBGZPJMESA-N 1 3 392.547 4.243 20 0 GIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977424 823557486 /nfs/dbraw/zinc/55/74/86/823557486.db2.gz CQPVOEOYVVJKHY-IBGZPJMESA-N 1 3 392.547 4.243 20 0 GIADHO C[C@@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512205 823582846 /nfs/dbraw/zinc/58/28/46/823582846.db2.gz APIIFRVKQLFXCE-CABCVRRESA-N 1 3 381.923 4.050 20 0 GIADHO C[C@@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512205 823582847 /nfs/dbraw/zinc/58/28/47/823582847.db2.gz APIIFRVKQLFXCE-CABCVRRESA-N 1 3 381.923 4.050 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518419 823583707 /nfs/dbraw/zinc/58/37/07/823583707.db2.gz PGROBFCFGCTJJD-HOTGVXAUSA-N 1 3 397.485 4.277 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518419 823583709 /nfs/dbraw/zinc/58/37/09/823583709.db2.gz PGROBFCFGCTJJD-HOTGVXAUSA-N 1 3 397.485 4.277 20 0 GIADHO Cc1c([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000191187947 823657632 /nfs/dbraw/zinc/65/76/32/823657632.db2.gz GPSYULKDOKHDDZ-OAQYLSRUSA-N 1 3 397.611 4.021 20 0 GIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCS2 ZINC000191509091 823693404 /nfs/dbraw/zinc/69/34/04/823693404.db2.gz LUWUAFDDMGJONB-NRFANRHFSA-N 1 3 386.561 4.352 20 0 GIADHO CSCc1cc(F)ccc1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167113904 823886344 /nfs/dbraw/zinc/88/63/44/823886344.db2.gz FQJFZDPIZOOECR-INIZCTEOSA-N 1 3 376.541 4.480 20 0 GIADHO COc1ccc(-c2nc3c(s2)[C@H](NCc2ccc(C[NH3+])cc2)CCC3)cc1 ZINC000575181453 823933280 /nfs/dbraw/zinc/93/32/80/823933280.db2.gz DRIAZGPXFCTGRZ-LJQANCHMSA-N 1 3 379.529 4.445 20 0 GIADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000575787927 823995777 /nfs/dbraw/zinc/99/57/77/823995777.db2.gz INLQHJRJCGRKTH-ZDUSSCGKSA-N 1 3 382.932 4.315 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856112 824042561 /nfs/dbraw/zinc/04/25/61/824042561.db2.gz NXJAQGYFOABSJS-AGIUHOORSA-N 1 3 391.865 4.054 20 0 GIADHO Cc1[nH+]c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc2[nH]ccc21 ZINC001164905494 721720169 /nfs/dbraw/zinc/72/01/69/721720169.db2.gz GXTBWYSHHSKBGM-OAQYLSRUSA-N 1 3 397.473 4.004 20 0 GIADHO OCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000570592688 823059285 /nfs/dbraw/zinc/05/92/85/823059285.db2.gz GJTJRNOGCUZGPZ-XXTHSBEZSA-N 1 3 384.951 4.264 20 0 GIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccccc1N1CCO[C@H](C)C1 ZINC000459386011 823179611 /nfs/dbraw/zinc/17/96/11/823179611.db2.gz XPXSYIKZPYUBHV-HXUWFJFHSA-N 1 3 381.564 4.043 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434479 823191664 /nfs/dbraw/zinc/19/16/64/823191664.db2.gz OTESZCITSAXNDO-KKLQWCBXSA-N 1 3 399.604 4.146 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434479 823191667 /nfs/dbraw/zinc/19/16/67/823191667.db2.gz OTESZCITSAXNDO-KKLQWCBXSA-N 1 3 399.604 4.146 20 0 GIADHO CCc1nnc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000459523908 823210973 /nfs/dbraw/zinc/21/09/73/823210973.db2.gz AAERDKLTTXISDG-OAQYLSRUSA-N 1 3 382.552 4.289 20 0 GIADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000571970493 823263073 /nfs/dbraw/zinc/26/30/73/823263073.db2.gz JCQZMSRZWXRTNW-RMNGQBEXSA-N 1 3 393.575 4.054 20 0 GIADHO COCCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000572186073 823296565 /nfs/dbraw/zinc/29/65/65/823296565.db2.gz LFRVGKIFSITSCB-BKFWDETESA-N 1 3 394.559 4.387 20 0 GIADHO Cc1cnc(CCN(C)[C@H]2CCC[N@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280821 823312412 /nfs/dbraw/zinc/31/24/12/823312412.db2.gz RJUHHBCTFOLCRW-QHCPKHFHSA-N 1 3 394.607 4.282 20 0 GIADHO Cc1cnc(CCN(C)[C@H]2CCC[N@@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280821 823312417 /nfs/dbraw/zinc/31/24/17/823312417.db2.gz RJUHHBCTFOLCRW-QHCPKHFHSA-N 1 3 394.607 4.282 20 0 GIADHO CN(C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353458 /nfs/dbraw/zinc/35/34/58/823353458.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353463 /nfs/dbraw/zinc/35/34/63/823353463.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 1 3 381.539 4.215 20 0 GIADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027606563 820267001 /nfs/dbraw/zinc/26/70/01/820267001.db2.gz AJTOGJWUUBOFGX-NRFANRHFSA-N 1 3 397.588 4.301 20 0 GIADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000180976239 821568513 /nfs/dbraw/zinc/56/85/13/821568513.db2.gz DYNGIMWRIZRUGC-NTKDMRAZSA-N 1 3 391.559 4.240 20 0 GIADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000180999424 821584304 /nfs/dbraw/zinc/58/43/04/821584304.db2.gz QXMURCDFRXZRPM-AWEZNQCLSA-N 1 3 394.346 4.136 20 0 GIADHO CCOc1cccc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000182029146 822067648 /nfs/dbraw/zinc/06/76/48/822067648.db2.gz NOIHUURAQQCQIY-DBVUQKKJSA-N 1 3 386.536 4.250 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(NC(C)=O)cc2)ccc1OC ZINC000182259455 822173067 /nfs/dbraw/zinc/17/30/67/822173067.db2.gz QCWFINKPEKUCGM-KRWDZBQOSA-N 1 3 383.536 4.346 20 0 GIADHO CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182267156 822179046 /nfs/dbraw/zinc/17/90/46/822179046.db2.gz FLHKRUACNXWQAY-URXFXBBRSA-N 1 3 394.559 4.380 20 0 GIADHO CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182267156 822179049 /nfs/dbraw/zinc/17/90/49/822179049.db2.gz FLHKRUACNXWQAY-URXFXBBRSA-N 1 3 394.559 4.380 20 0 GIADHO Cc1nc(C)c([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000178211523 822353857 /nfs/dbraw/zinc/35/38/57/822353857.db2.gz NTCMJCNUHRLZHU-GOSISDBHSA-N 1 3 386.609 4.009 20 0 GIADHO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1 ZINC000182944104 822397746 /nfs/dbraw/zinc/39/77/46/822397746.db2.gz UYNVOQPOZTZMEC-WZONZLPQSA-N 1 3 398.547 4.074 20 0 GIADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178794914 822410574 /nfs/dbraw/zinc/41/05/74/822410574.db2.gz BSMXNWKOZRVBSH-NRFANRHFSA-N 1 3 386.536 4.109 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000178853720 822416411 /nfs/dbraw/zinc/41/64/11/822416411.db2.gz DLHMPNSDQQSPRW-UHFFFAOYSA-N 1 3 384.474 4.485 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000178853720 822416414 /nfs/dbraw/zinc/41/64/14/822416414.db2.gz DLHMPNSDQQSPRW-UHFFFAOYSA-N 1 3 384.474 4.485 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1CN1CCCCC1 ZINC000183146745 822430963 /nfs/dbraw/zinc/43/09/63/822430963.db2.gz GTQIIDMTQRWLAD-BBTUJRGHSA-N 1 3 386.536 4.437 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1CN1CCCCC1 ZINC000183146705 822431042 /nfs/dbraw/zinc/43/10/42/822431042.db2.gz GTQIIDMTQRWLAD-WFXMLNOXSA-N 1 3 386.536 4.437 20 0 GIADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048714298 822679427 /nfs/dbraw/zinc/67/94/27/822679427.db2.gz GOTWLANFUWKGSQ-GOSISDBHSA-N 1 3 398.551 4.008 20 0 GIADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)ccc21 ZINC000455887882 822742834 /nfs/dbraw/zinc/74/28/34/822742834.db2.gz XGXGSKSGLOIRJZ-UXHICEINSA-N 1 3 398.576 4.256 20 0 GIADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C(C)C)CC1 ZINC000052006982 822786533 /nfs/dbraw/zinc/78/65/33/822786533.db2.gz CLPPCVGIZFNCSQ-RUZDIDTESA-N 1 3 393.575 4.063 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(Oc3cnccn3)cc2)c1 ZINC000174413821 822786840 /nfs/dbraw/zinc/78/68/40/822786840.db2.gz XHFAQXINPKSVDY-UHFFFAOYSA-N 1 3 376.504 4.399 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(Oc3cnccn3)cc2)c1 ZINC000174413821 822786842 /nfs/dbraw/zinc/78/68/42/822786842.db2.gz XHFAQXINPKSVDY-UHFFFAOYSA-N 1 3 376.504 4.399 20 0 GIADHO C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000186345671 822879233 /nfs/dbraw/zinc/87/92/33/822879233.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 1 3 380.532 4.286 20 0 GIADHO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000186345671 822879236 /nfs/dbraw/zinc/87/92/36/822879236.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 1 3 380.532 4.286 20 0 GIADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569928283 822986858 /nfs/dbraw/zinc/98/68/58/822986858.db2.gz AHBODLRVVJNTRQ-FVQBIDKESA-N 1 3 394.441 4.138 20 0 GIADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563595 /nfs/dbraw/zinc/56/35/95/823563595.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 1 3 393.575 4.087 20 0 GIADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563596 /nfs/dbraw/zinc/56/35/96/823563596.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 1 3 393.575 4.087 20 0 GIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000191013713 823638349 /nfs/dbraw/zinc/63/83/49/823638349.db2.gz LKFDSUCTSPWMLB-UHFFFAOYSA-N 1 3 392.465 4.260 20 0 GIADHO COc1ccc2oc(CN[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2c1 ZINC000125021517 823645674 /nfs/dbraw/zinc/64/56/74/823645674.db2.gz RCKFCUVPIKDHON-INIZCTEOSA-N 1 3 397.494 4.183 20 0 GIADHO COc1ccc2oc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CCN(C)CC3)cc2c1 ZINC000125021517 823645677 /nfs/dbraw/zinc/64/56/77/823645677.db2.gz RCKFCUVPIKDHON-INIZCTEOSA-N 1 3 397.494 4.183 20 0 GIADHO CC(C)N1CCN(CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000191589009 823705219 /nfs/dbraw/zinc/70/52/19/823705219.db2.gz UBQNWMOGVYPZAN-UHFFFAOYSA-N 1 3 392.591 4.129 20 0 GIADHO CC(C)N1CCN(CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000191589009 823705224 /nfs/dbraw/zinc/70/52/24/823705224.db2.gz UBQNWMOGVYPZAN-UHFFFAOYSA-N 1 3 392.591 4.129 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733076 /nfs/dbraw/zinc/73/30/76/823733076.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 1 3 376.342 4.159 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733081 /nfs/dbraw/zinc/73/30/81/823733081.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 1 3 376.342 4.159 20 0 GIADHO C[N@H+](CCOc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163933902 823762661 /nfs/dbraw/zinc/76/26/61/823762661.db2.gz NAPABHOVLWDWRE-XMMPIXPASA-N 1 3 398.522 4.092 20 0 GIADHO C[N@@H+](CCOc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163933902 823762665 /nfs/dbraw/zinc/76/26/65/823762665.db2.gz NAPABHOVLWDWRE-XMMPIXPASA-N 1 3 398.522 4.092 20 0 GIADHO C[N@H+](CCOc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962274 823766162 /nfs/dbraw/zinc/76/61/62/823766162.db2.gz SCASHISCQRGZDT-DEOSSOPVSA-N 1 3 398.522 4.092 20 0 GIADHO C[N@@H+](CCOc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962274 823766168 /nfs/dbraw/zinc/76/61/68/823766168.db2.gz SCASHISCQRGZDT-DEOSSOPVSA-N 1 3 398.522 4.092 20 0 GIADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126015908 823766723 /nfs/dbraw/zinc/76/67/23/823766723.db2.gz CWCFIWSJPCPCCC-UWJYYQICSA-N 1 3 394.625 4.420 20 0 GIADHO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000164190226 823784758 /nfs/dbraw/zinc/78/47/58/823784758.db2.gz RFVWVTCYOKPIJH-FQEVSTJZSA-N 1 3 389.547 4.494 20 0 GIADHO COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1OC ZINC000165324739 823843373 /nfs/dbraw/zinc/84/33/73/823843373.db2.gz ZNQFBVCIPIZPSW-CTNGQTDRSA-N 1 3 382.548 4.057 20 0 GIADHO Cc1cc(CN(C)C)cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000165371605 823845993 /nfs/dbraw/zinc/84/59/93/823845993.db2.gz OZKMVHCQTKJJJG-UHFFFAOYSA-N 1 3 379.548 4.297 20 0 GIADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)c(F)c1 ZINC000413917503 823865675 /nfs/dbraw/zinc/86/56/75/823865675.db2.gz QEQNRWPGTBXOII-UHFFFAOYSA-N 1 3 399.510 4.004 20 0 GIADHO Fc1ccc(CN2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1F ZINC000166152693 823871179 /nfs/dbraw/zinc/87/11/79/823871179.db2.gz BPZAVEVZISYJDW-UHFFFAOYSA-N 1 3 391.550 4.316 20 0 GIADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414295650 823953609 /nfs/dbraw/zinc/95/36/09/823953609.db2.gz DGOOEDUCTFVZJS-QGZVFWFLSA-N 1 3 387.593 4.253 20 0 GIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000414298330 823953678 /nfs/dbraw/zinc/95/36/78/823953678.db2.gz GYPSOYZOEIRZKF-FQEVSTJZSA-N 1 3 382.548 4.152 20 0 GIADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000414303009 823954243 /nfs/dbraw/zinc/95/42/43/823954243.db2.gz LERCIOJMEZSINJ-KRWDZBQOSA-N 1 3 378.969 4.469 20 0 GIADHO CCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414815867 824039155 /nfs/dbraw/zinc/03/91/55/824039155.db2.gz YPDKQIRKFQFZQX-CQSZACIVSA-N 1 3 382.426 4.336 20 0 GIADHO Brc1cccc(-c2nc(CNCC[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414830876 824040244 /nfs/dbraw/zinc/04/02/44/824040244.db2.gz CNVRKMXZVPLMCC-ZDUSSCGKSA-N 1 3 380.355 4.052 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414916719 824050160 /nfs/dbraw/zinc/05/01/60/824050160.db2.gz QEJLSTYNMNYDSW-SJKOYZFVSA-N 1 3 391.865 4.055 20 0 GIADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570626330 823064116 /nfs/dbraw/zinc/06/41/16/823064116.db2.gz HUUPABUAUBDUOW-UHFFFAOYSA-N 1 3 393.531 4.414 20 0 GIADHO COc1cc(OC)c([C@@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)cc1Cl ZINC000120963261 823094022 /nfs/dbraw/zinc/09/40/22/823094022.db2.gz SQNJEDRQVGNMTA-CYBMUJFWSA-N 1 3 380.891 4.409 20 0 GIADHO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1Cl ZINC000120963261 823094027 /nfs/dbraw/zinc/09/40/27/823094027.db2.gz SQNJEDRQVGNMTA-CYBMUJFWSA-N 1 3 380.891 4.409 20 0 GIADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124461 /nfs/dbraw/zinc/12/44/61/823124461.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124464 /nfs/dbraw/zinc/12/44/64/823124464.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 1 3 381.539 4.215 20 0 GIADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000571516381 823194921 /nfs/dbraw/zinc/19/49/21/823194921.db2.gz MZMRUEJNDDOFGZ-NRFANRHFSA-N 1 3 391.559 4.152 20 0 GIADHO CCOc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)c1[O-] ZINC000459483991 823201961 /nfs/dbraw/zinc/20/19/61/823201961.db2.gz NDJWGYLEAFCJJF-UHFFFAOYSA-N 1 3 389.927 4.188 20 0 GIADHO CCOc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)c1[O-] ZINC000459483991 823201965 /nfs/dbraw/zinc/20/19/65/823201965.db2.gz NDJWGYLEAFCJJF-UHFFFAOYSA-N 1 3 389.927 4.188 20 0 GIADHO CCn1c(C)nnc1CN1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459528863 823212534 /nfs/dbraw/zinc/21/25/34/823212534.db2.gz RBKKWLMNGIAUCV-HSZRJFAPSA-N 1 3 395.595 4.263 20 0 GIADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(Cl)s1 ZINC000571699809 823221308 /nfs/dbraw/zinc/22/13/08/823221308.db2.gz KXFNGODIPFTKSK-QGZVFWFLSA-N 1 3 398.016 4.165 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121655368 823223739 /nfs/dbraw/zinc/22/37/39/823223739.db2.gz DQJVCHNAZFWOCX-FQEVSTJZSA-N 1 3 389.547 4.494 20 0 GIADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000409881545 823335090 /nfs/dbraw/zinc/33/50/90/823335090.db2.gz DMFFHWIXXXTNMX-UHFFFAOYSA-N 1 3 393.575 4.097 20 0 GIADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000409881545 823335097 /nfs/dbraw/zinc/33/50/97/823335097.db2.gz DMFFHWIXXXTNMX-UHFFFAOYSA-N 1 3 393.575 4.097 20 0 GIADHO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000177028771 823353768 /nfs/dbraw/zinc/35/37/68/823353768.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 1 3 397.588 4.414 20 0 GIADHO CN(C)C(=O)Sc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000177028771 823353775 /nfs/dbraw/zinc/35/37/75/823353775.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 1 3 397.588 4.414 20 0 GIADHO C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671521 823379634 /nfs/dbraw/zinc/37/96/34/823379634.db2.gz IOFKNYXDFIQLFM-IERDGZPVSA-N 1 3 376.928 4.055 20 0 GIADHO C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671522 823379714 /nfs/dbraw/zinc/37/97/14/823379714.db2.gz IOFKNYXDFIQLFM-IIBYNOLFSA-N 1 3 376.928 4.055 20 0 GIADHO CC[C@@H](CC1CCCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460479067 823403131 /nfs/dbraw/zinc/40/31/31/823403131.db2.gz GTFPYRRVFDGZAC-NRFANRHFSA-N 1 3 377.617 4.050 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000123006803 823447209 /nfs/dbraw/zinc/44/72/09/823447209.db2.gz DUSLFJRDHSSCGJ-SFHVURJKSA-N 1 3 392.547 4.417 20 0 GIADHO C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026368983 820090772 /nfs/dbraw/zinc/09/07/72/820090772.db2.gz MIJQWICDYADBFQ-ZWKOTPCHSA-N 1 3 399.966 4.160 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641714 821379306 /nfs/dbraw/zinc/37/93/06/821379306.db2.gz LIBMNVBYBBJWOO-KXBFYZLASA-N 1 3 394.437 4.003 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641714 821379316 /nfs/dbraw/zinc/37/93/16/821379316.db2.gz LIBMNVBYBBJWOO-KXBFYZLASA-N 1 3 394.437 4.003 20 0 GIADHO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000180753628 821435545 /nfs/dbraw/zinc/43/55/45/821435545.db2.gz YQORBMKLVAMCIF-UHFFFAOYSA-N 1 3 385.596 4.257 20 0 GIADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000180974430 821566659 /nfs/dbraw/zinc/56/66/59/821566659.db2.gz XHCCJRJBDBNZDG-XMMPIXPASA-N 1 3 391.559 4.070 20 0 GIADHO CC(C)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229065 822157112 /nfs/dbraw/zinc/15/71/12/822157112.db2.gz GDZLXBBGWISREA-NFBKMPQASA-N 1 3 388.502 4.408 20 0 GIADHO CC(C)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229065 822157116 /nfs/dbraw/zinc/15/71/16/822157116.db2.gz GDZLXBBGWISREA-NFBKMPQASA-N 1 3 388.502 4.408 20 0 GIADHO CC(C)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229048 822157155 /nfs/dbraw/zinc/15/71/55/822157155.db2.gz GDZLXBBGWISREA-OFNKIYASSA-N 1 3 388.502 4.408 20 0 GIADHO CC(C)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229048 822157160 /nfs/dbraw/zinc/15/71/60/822157160.db2.gz GDZLXBBGWISREA-OFNKIYASSA-N 1 3 388.502 4.408 20 0 GIADHO CC(C)Oc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182247423 822166707 /nfs/dbraw/zinc/16/67/07/822166707.db2.gz ZVVZLCXGSPPWAP-WMZHIEFXSA-N 1 3 382.548 4.281 20 0 GIADHO CC(C)Oc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182247423 822166711 /nfs/dbraw/zinc/16/67/11/822166711.db2.gz ZVVZLCXGSPPWAP-WMZHIEFXSA-N 1 3 382.548 4.281 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccnc(N3CCCC3)c2)ccc1OC ZINC000182314300 822199579 /nfs/dbraw/zinc/19/95/79/822199579.db2.gz QRDKDLKIWVIYDV-IBGZPJMESA-N 1 3 396.579 4.383 20 0 GIADHO COc1ccc([C@H](C)NCc2cccc(NC(C)=O)c2)cc1C[NH+]1CCCCC1 ZINC000182425619 822239362 /nfs/dbraw/zinc/23/93/62/822239362.db2.gz OBGQJKOIPTZFRX-SFHVURJKSA-N 1 3 395.547 4.490 20 0 GIADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000178239896 822357602 /nfs/dbraw/zinc/35/76/02/822357602.db2.gz PSCQOKNVEAPHRC-FOIQADDNSA-N 1 3 391.437 4.099 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)ccc1OC ZINC000183083539 822422675 /nfs/dbraw/zinc/42/26/75/822422675.db2.gz PERMFZURHYWHON-HVGYWUMUSA-N 1 3 394.625 4.267 20 0 GIADHO Cn1ccnc1[C@@H](NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000183274911 822452152 /nfs/dbraw/zinc/45/21/52/822452152.db2.gz WOHXTVHYMWCZQN-QHCPKHFHSA-N 1 3 380.580 4.196 20 0 GIADHO Cc1cc([C@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371582 822472641 /nfs/dbraw/zinc/47/26/41/822472641.db2.gz ZYHVPHFRPLYOPO-ZWKOTPCHSA-N 1 3 399.604 4.185 20 0 GIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636839 /nfs/dbraw/zinc/63/68/39/822636839.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 1 3 376.342 4.159 20 0 GIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636842 /nfs/dbraw/zinc/63/68/42/822636842.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 1 3 376.342 4.159 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180313515 822661882 /nfs/dbraw/zinc/66/18/82/822661882.db2.gz NNIHHLWSYKCHRW-UHFFFAOYSA-N 1 3 391.515 4.385 20 0 GIADHO C[C@H](CCN[C@H](C)[C@@H]1COc2ccccc21)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185582371 822799075 /nfs/dbraw/zinc/79/90/75/822799075.db2.gz RQWQEZPNMCEWKI-XMHKDOOOSA-N 1 3 380.532 4.074 20 0 GIADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1COc2ccccc21)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185582371 822799077 /nfs/dbraw/zinc/79/90/77/822799077.db2.gz RQWQEZPNMCEWKI-XMHKDOOOSA-N 1 3 380.532 4.074 20 0 GIADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cccc(Cl)c1 ZINC000570222745 823016533 /nfs/dbraw/zinc/01/65/33/823016533.db2.gz FIMNPAFRINZNLC-OAQYLSRUSA-N 1 3 391.987 4.104 20 0 GIADHO C[C@@H]1C[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000411423705 823572566 /nfs/dbraw/zinc/57/25/66/823572566.db2.gz YLQZAIMASBEDDV-CTUHWIOQSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H]1C[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000411423705 823572567 /nfs/dbraw/zinc/57/25/67/823572567.db2.gz YLQZAIMASBEDDV-CTUHWIOQSA-N 1 3 397.994 4.387 20 0 GIADHO COC(=O)COc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411536471 823586018 /nfs/dbraw/zinc/58/60/18/823586018.db2.gz BNQYRUXENSNDRW-LJQANCHMSA-N 1 3 396.531 4.075 20 0 GIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411697580 823597919 /nfs/dbraw/zinc/59/79/19/823597919.db2.gz WDXOTHKIMZSGGA-OAQYLSRUSA-N 1 3 390.531 4.169 20 0 GIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411697580 823597924 /nfs/dbraw/zinc/59/79/24/823597924.db2.gz WDXOTHKIMZSGGA-OAQYLSRUSA-N 1 3 390.531 4.169 20 0 GIADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116327 823627662 /nfs/dbraw/zinc/62/76/62/823627662.db2.gz KHSYJXWFDXJKCF-GMAHTHKFSA-N 1 3 397.607 4.399 20 0 GIADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116327 823627663 /nfs/dbraw/zinc/62/76/63/823627663.db2.gz KHSYJXWFDXJKCF-GMAHTHKFSA-N 1 3 397.607 4.399 20 0 GIADHO COc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2n1 ZINC000124860861 823631890 /nfs/dbraw/zinc/63/18/90/823631890.db2.gz RXBHTGZCZZGOSV-KRWDZBQOSA-N 1 3 379.504 4.035 20 0 GIADHO C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254849 823640288 /nfs/dbraw/zinc/64/02/88/823640288.db2.gz YSMLVUJTCLVOEU-KNQAVFIVSA-N 1 3 383.580 4.055 20 0 GIADHO C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254849 823640291 /nfs/dbraw/zinc/64/02/91/823640291.db2.gz YSMLVUJTCLVOEU-KNQAVFIVSA-N 1 3 383.580 4.055 20 0 GIADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063917599 823711404 /nfs/dbraw/zinc/71/14/04/823711404.db2.gz KWYYZLQMBWAGRU-SFHVURJKSA-N 1 3 380.561 4.422 20 0 GIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000191609657 823711717 /nfs/dbraw/zinc/71/17/17/823711717.db2.gz CQKQIQLASUWXIQ-HXUWFJFHSA-N 1 3 383.502 4.162 20 0 GIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000163571527 823723817 /nfs/dbraw/zinc/72/38/17/823723817.db2.gz VJZOHZBVXXXRCA-KRWDZBQOSA-N 1 3 383.536 4.346 20 0 GIADHO Cc1cc(C)cc([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000574422951 823725891 /nfs/dbraw/zinc/72/58/91/823725891.db2.gz TZLCUUDDGYIRTG-NRFANRHFSA-N 1 3 393.575 4.043 20 0 GIADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000064027844 823736661 /nfs/dbraw/zinc/73/66/61/823736661.db2.gz JMBMOVBBGHTTTJ-UHFFFAOYSA-N 1 3 377.532 4.173 20 0 GIADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000125997343 823763102 /nfs/dbraw/zinc/76/31/02/823763102.db2.gz OMZOJSBXPMYWFN-QGZVFWFLSA-N 1 3 381.967 4.154 20 0 GIADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743937 823816157 /nfs/dbraw/zinc/81/61/57/823816157.db2.gz HAWKVTQBDIIUHC-OKZBNKHCSA-N 1 3 399.362 4.175 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc([S@](C)=O)cc1 ZINC000164988662 823828481 /nfs/dbraw/zinc/82/84/81/823828481.db2.gz RZTCXKZXVKATIC-FLMDEPPBSA-N 1 3 376.591 4.219 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc([S@](C)=O)cc1 ZINC000164988662 823828488 /nfs/dbraw/zinc/82/84/88/823828488.db2.gz RZTCXKZXVKATIC-FLMDEPPBSA-N 1 3 376.591 4.219 20 0 GIADHO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000126711783 823932874 /nfs/dbraw/zinc/93/28/74/823932874.db2.gz QKTLGGMIQDMRNH-HUUCEWRRSA-N 1 3 377.454 4.268 20 0 GIADHO CCOc1ccccc1[C@H](C)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126750404 823941448 /nfs/dbraw/zinc/94/14/48/823941448.db2.gz QNZRBTQPZAJYJB-ZWKOTPCHSA-N 1 3 385.527 4.388 20 0 GIADHO CC(C)CC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccoc1 ZINC000414348212 823962378 /nfs/dbraw/zinc/96/23/78/823962378.db2.gz XKWGMSMIWLAQHD-QHCPKHFHSA-N 1 3 397.563 4.244 20 0 GIADHO Fc1cccc(CN2CC[C@@]23CCCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164995622 722204261 /nfs/dbraw/zinc/20/42/61/722204261.db2.gz OSASCPOJGZLUHW-HSZRJFAPSA-N 1 3 380.511 4.066 20 0 GIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)CCCS2 ZINC000187789249 823133591 /nfs/dbraw/zinc/13/35/91/823133591.db2.gz BSIFBEBWKPLFLY-NRFANRHFSA-N 1 3 386.561 4.352 20 0 GIADHO C[NH+]1CCC(Oc2ccc(CNCc3cccc(OC(F)F)c3)cc2)CC1 ZINC000571151172 823141364 /nfs/dbraw/zinc/14/13/64/823141364.db2.gz QNPQYATYHAUQSL-UHFFFAOYSA-N 1 3 376.447 4.051 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434481 823191474 /nfs/dbraw/zinc/19/14/74/823191474.db2.gz OTESZCITSAXNDO-RFWXGWTQSA-N 1 3 399.604 4.146 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434481 823191480 /nfs/dbraw/zinc/19/14/80/823191480.db2.gz OTESZCITSAXNDO-RFWXGWTQSA-N 1 3 399.604 4.146 20 0 GIADHO CN1CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442388 823192743 /nfs/dbraw/zinc/19/27/43/823192743.db2.gz JKMAPBLJWXXAHZ-LAUBAEHRSA-N 1 3 395.513 4.305 20 0 GIADHO C[NH+](C)Cc1cccc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459464512 823197586 /nfs/dbraw/zinc/19/75/86/823197586.db2.gz MLAXGGVYJRGLOP-UHFFFAOYSA-N 1 3 389.547 4.412 20 0 GIADHO CCc1nnc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459539937 823215583 /nfs/dbraw/zinc/21/55/83/823215583.db2.gz XCXCUNPFIXWDRY-QFIPXVFZSA-N 1 3 395.595 4.034 20 0 GIADHO COCc1nc(CNC2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)s1 ZINC000459541104 823216032 /nfs/dbraw/zinc/21/60/32/823216032.db2.gz YPNDWKVPYLCRDD-UHFFFAOYSA-N 1 3 394.544 4.110 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)CC1 ZINC000571939972 823257513 /nfs/dbraw/zinc/25/75/13/823257513.db2.gz SFOMVLWUJXIGEQ-UHFFFAOYSA-N 1 3 399.510 4.221 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000123063162 823455966 /nfs/dbraw/zinc/45/59/66/823455966.db2.gz LDPYJJHOUDBXQS-LJQANCHMSA-N 1 3 377.532 4.260 20 0 GIADHO C[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170683 823459542 /nfs/dbraw/zinc/45/95/42/823459542.db2.gz HRKTWNCUHKIDPL-IRLDBZIGSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170683 823459545 /nfs/dbraw/zinc/45/95/45/823459545.db2.gz HRKTWNCUHKIDPL-IRLDBZIGSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170683 823459548 /nfs/dbraw/zinc/45/95/48/823459548.db2.gz HRKTWNCUHKIDPL-IRLDBZIGSA-N 1 3 389.547 4.220 20 0 GIADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)o1 ZINC000059853230 823500708 /nfs/dbraw/zinc/50/07/08/823500708.db2.gz RIQDIIZCFHXXQS-UHFFFAOYSA-N 1 3 378.520 4.500 20 0 GIADHO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000030907153 820706856 /nfs/dbraw/zinc/70/68/56/820706856.db2.gz ARWSCLQDWVQIKK-IBGZPJMESA-N 1 3 392.572 4.234 20 0 GIADHO CN(C)Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000044277379 821558354 /nfs/dbraw/zinc/55/83/54/821558354.db2.gz WXLNQCMNFBGNHF-UHFFFAOYSA-N 1 3 380.536 4.056 20 0 GIADHO CC(C)Sc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996549 821582325 /nfs/dbraw/zinc/58/23/25/821582325.db2.gz RBQNORJCNRBTFJ-SFHVURJKSA-N 1 3 399.604 4.329 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)on1 ZINC000181134374 821654581 /nfs/dbraw/zinc/65/45/81/821654581.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 1 3 379.504 4.418 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)on1 ZINC000181134374 821654583 /nfs/dbraw/zinc/65/45/83/821654583.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 1 3 379.504 4.418 20 0 GIADHO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)cc1 ZINC000182286808 822188148 /nfs/dbraw/zinc/18/81/48/822188148.db2.gz BUYWJVSMKBQIDM-WZONZLPQSA-N 1 3 398.547 4.074 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(N3CCCC3)nc2)ccc1OC ZINC000182344687 822209320 /nfs/dbraw/zinc/20/93/20/822209320.db2.gz IGNXDYYEGOHCAX-IBGZPJMESA-N 1 3 396.579 4.383 20 0 GIADHO COc1cc(C)c([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036866 822292968 /nfs/dbraw/zinc/29/29/68/822292968.db2.gz OXJQKMRSVAFTKZ-QZTJIDSGSA-N 1 3 386.536 4.364 20 0 GIADHO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178256866 822359533 /nfs/dbraw/zinc/35/95/33/822359533.db2.gz OIFLELGTCKXRIY-SFHVURJKSA-N 1 3 379.342 4.127 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1CN1CCCCC1 ZINC000182825854 822373753 /nfs/dbraw/zinc/37/37/53/822373753.db2.gz MSRBXANKMWHZLL-RTBURBONSA-N 1 3 384.568 4.173 20 0 GIADHO C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183100621 822424420 /nfs/dbraw/zinc/42/44/20/822424420.db2.gz JEDABQCFPNBFPZ-UYAOXDASSA-N 1 3 393.616 4.266 20 0 GIADHO Fc1ccc(-c2noc(CCCNC3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000183177577 822436233 /nfs/dbraw/zinc/43/62/33/822436233.db2.gz KRNLESXPAAOGPW-UHFFFAOYSA-N 1 3 386.515 4.195 20 0 GIADHO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183197053 822439859 /nfs/dbraw/zinc/43/98/59/822439859.db2.gz DFJCVRUEMHKYSK-FKAKGIQBSA-N 1 3 379.589 4.065 20 0 GIADHO COc1ccc([C@H](C)[NH2+]CC2(SC)CCOCC2)cc1CN1CCCCC1 ZINC000183304356 822455950 /nfs/dbraw/zinc/45/59/50/822455950.db2.gz APZPLGCVGWVDFB-SFHVURJKSA-N 1 3 392.609 4.244 20 0 GIADHO Cc1cc([C@@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371568 822472614 /nfs/dbraw/zinc/47/26/14/822472614.db2.gz ZYHVPHFRPLYOPO-QZTJIDSGSA-N 1 3 399.604 4.185 20 0 GIADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000179511130 822493688 /nfs/dbraw/zinc/49/36/88/822493688.db2.gz GRXWJUGLTPZBNB-GOSISDBHSA-N 1 3 392.341 4.025 20 0 GIADHO CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184175466 822590974 /nfs/dbraw/zinc/59/09/74/822590974.db2.gz VXQGGIAPNMXZCX-DEOSSOPVSA-N 1 3 391.559 4.019 20 0 GIADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)ccc21 ZINC000455887881 822742750 /nfs/dbraw/zinc/74/27/50/822742750.db2.gz XGXGSKSGLOIRJZ-PMACEKPBSA-N 1 3 398.576 4.256 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cc4ccccc4s3)CC2)CC1 ZINC000569017289 822870055 /nfs/dbraw/zinc/87/00/55/822870055.db2.gz NCALHYGCWRYFGR-KRWDZBQOSA-N 1 3 399.604 4.275 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000411438545 823574203 /nfs/dbraw/zinc/57/42/03/823574203.db2.gz NJVGTOMLYNIWIZ-IBGZPJMESA-N 1 3 375.520 4.104 20 0 GIADHO Cc1c([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000191187960 823657648 /nfs/dbraw/zinc/65/76/48/823657648.db2.gz GPSYULKDOKHDDZ-NRFANRHFSA-N 1 3 397.611 4.021 20 0 GIADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000063640296 823685765 /nfs/dbraw/zinc/68/57/65/823685765.db2.gz RRJVWJIPNOGNCI-UHFFFAOYSA-N 1 3 383.580 4.201 20 0 GIADHO COc1ccc2c(c1)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCS2 ZINC000191509076 823693393 /nfs/dbraw/zinc/69/33/93/823693393.db2.gz LUWUAFDDMGJONB-OAQYLSRUSA-N 1 3 386.561 4.352 20 0 GIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823733008 /nfs/dbraw/zinc/73/30/08/823733008.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 1 3 376.342 4.159 20 0 GIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823733013 /nfs/dbraw/zinc/73/30/13/823733013.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 1 3 376.342 4.159 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000163922442 823761666 /nfs/dbraw/zinc/76/16/66/823761666.db2.gz QHEVFLOMHLVIAO-IBGZPJMESA-N 1 3 393.531 4.480 20 0 GIADHO C[C@H](CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559130 823766083 /nfs/dbraw/zinc/76/60/83/823766083.db2.gz SMPJHAOYYOCPIY-RCZVLFRGSA-N 1 3 377.576 4.072 20 0 GIADHO C[C@H](CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559130 823766093 /nfs/dbraw/zinc/76/60/93/823766093.db2.gz SMPJHAOYYOCPIY-RCZVLFRGSA-N 1 3 377.576 4.072 20 0 GIADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000164452577 823803835 /nfs/dbraw/zinc/80/38/35/823803835.db2.gz QSDOVMRSLOGHKZ-OAHLLOKOSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307582 823843161 /nfs/dbraw/zinc/84/31/61/823843161.db2.gz RUHKPYIXYSRTEF-FPOVZHCZSA-N 1 3 380.532 4.063 20 0 GIADHO CCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414815866 824039253 /nfs/dbraw/zinc/03/92/53/824039253.db2.gz YPDKQIRKFQFZQX-AWEZNQCLSA-N 1 3 382.426 4.336 20 0 GIADHO OCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccc(Cl)cc1 ZINC000570592689 823059124 /nfs/dbraw/zinc/05/91/24/823059124.db2.gz GJTJRNOGCUZGPZ-YPIGPJMWSA-N 1 3 384.951 4.264 20 0 GIADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCS2 ZINC000187536639 823084211 /nfs/dbraw/zinc/08/42/11/823084211.db2.gz YUXPLWAUDHGQTF-RBBKRZOGSA-N 1 3 382.573 4.197 20 0 GIADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000187536639 823084216 /nfs/dbraw/zinc/08/42/16/823084216.db2.gz YUXPLWAUDHGQTF-RBBKRZOGSA-N 1 3 382.573 4.197 20 0 GIADHO CN(C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124620 /nfs/dbraw/zinc/12/46/20/823124620.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124623 /nfs/dbraw/zinc/12/46/23/823124623.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 1 3 381.539 4.215 20 0 GIADHO C[C@@H]1CC[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137465 823139481 /nfs/dbraw/zinc/13/94/81/823139481.db2.gz QKIIVIZGCRMCGN-BSIFCXSSSA-N 1 3 397.588 4.174 20 0 GIADHO C[C@@H]1CC[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137465 823139485 /nfs/dbraw/zinc/13/94/85/823139485.db2.gz QKIIVIZGCRMCGN-BSIFCXSSSA-N 1 3 397.588 4.174 20 0 GIADHO CN1CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442378 823192611 /nfs/dbraw/zinc/19/26/11/823192611.db2.gz JKMAPBLJWXXAHZ-DYESRHJHSA-N 1 3 395.513 4.305 20 0 GIADHO CN1CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442391 823192738 /nfs/dbraw/zinc/19/27/38/823192738.db2.gz JKMAPBLJWXXAHZ-UWJYYQICSA-N 1 3 395.513 4.305 20 0 GIADHO CC(C)N1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459471456 823199233 /nfs/dbraw/zinc/19/92/33/823199233.db2.gz TZLSLNKGXBACDU-NHCUHLMSSA-N 1 3 379.951 4.219 20 0 GIADHO Clc1ccc(CC[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000459581297 823224979 /nfs/dbraw/zinc/22/49/79/823224979.db2.gz BUCSVKNVTLHKJH-QFIPXVFZSA-N 1 3 398.978 4.401 20 0 GIADHO C[NH+](C)Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000017319429 818509404 /nfs/dbraw/zinc/50/94/04/818509404.db2.gz ANZFKXAUEGJRBT-UHFFFAOYSA-N 1 3 397.526 4.286 20 0 GIADHO CC[C@H](CC1CCCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460479068 823403106 /nfs/dbraw/zinc/40/31/06/823403106.db2.gz GTFPYRRVFDGZAC-OAQYLSRUSA-N 1 3 377.617 4.050 20 0 GIADHO CCCCC1CCC(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000460507443 823411687 /nfs/dbraw/zinc/41/16/87/823411687.db2.gz LEWXTDWVPHVHTM-UHFFFAOYSA-N 1 3 377.617 4.050 20 0 GIADHO C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026368986 820091078 /nfs/dbraw/zinc/09/10/78/820091078.db2.gz MIJQWICDYADBFQ-ROUUACIJSA-N 1 3 399.966 4.160 20 0 GIADHO C[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170682 823459331 /nfs/dbraw/zinc/45/93/31/823459331.db2.gz HRKTWNCUHKIDPL-IFMALSPDSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170682 823459335 /nfs/dbraw/zinc/45/93/35/823459335.db2.gz HRKTWNCUHKIDPL-IFMALSPDSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170682 823459339 /nfs/dbraw/zinc/45/93/39/823459339.db2.gz HRKTWNCUHKIDPL-IFMALSPDSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(I)cc1 ZINC000037786430 821093666 /nfs/dbraw/zinc/09/36/66/821093666.db2.gz ZIHVZODNEZDFTD-CYBMUJFWSA-N 1 3 386.321 4.205 20 0 GIADHO CCc1c2ccccc2oc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181975475 822050334 /nfs/dbraw/zinc/05/03/34/822050334.db2.gz GNLZEKKWIISIBB-QGZVFWFLSA-N 1 3 393.531 4.137 20 0 GIADHO CC(C)c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260216 822173984 /nfs/dbraw/zinc/17/39/84/822173984.db2.gz POFSHNVLVNEUGG-UPVQGACJSA-N 1 3 394.559 4.380 20 0 GIADHO CC(C)c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260216 822173987 /nfs/dbraw/zinc/17/39/87/822173987.db2.gz POFSHNVLVNEUGG-UPVQGACJSA-N 1 3 394.559 4.380 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266119 822178286 /nfs/dbraw/zinc/17/82/86/822178286.db2.gz FAGIFOSGXFLFMA-BEFAXECRSA-N 1 3 392.515 4.419 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266119 822178292 /nfs/dbraw/zinc/17/82/92/822178292.db2.gz FAGIFOSGXFLFMA-BEFAXECRSA-N 1 3 392.515 4.419 20 0 GIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182273411 822181986 /nfs/dbraw/zinc/18/19/86/822181986.db2.gz JSVMHYULUGLPLZ-KXBFYZLASA-N 1 3 387.593 4.166 20 0 GIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182273411 822181992 /nfs/dbraw/zinc/18/19/92/822181992.db2.gz JSVMHYULUGLPLZ-KXBFYZLASA-N 1 3 387.593 4.166 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000182285351 822186728 /nfs/dbraw/zinc/18/67/28/822186728.db2.gz XBFNZTLRSKVWEQ-JTSKRJEESA-N 1 3 386.511 4.204 20 0 GIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000178035133 822292159 /nfs/dbraw/zinc/29/21/59/822292159.db2.gz YYUVYZDESXWKQR-MCIONIFRSA-N 1 3 375.376 4.051 20 0 GIADHO COc1cc(C)c([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036838 822292936 /nfs/dbraw/zinc/29/29/36/822292936.db2.gz OXJQKMRSVAFTKZ-ZWKOTPCHSA-N 1 3 386.536 4.364 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1CN1CCCCC1 ZINC000183009264 822410557 /nfs/dbraw/zinc/41/05/57/822410557.db2.gz CTHYIOXJHPGRBD-NZQKXSOJSA-N 1 3 396.575 4.498 20 0 GIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007942 822433840 /nfs/dbraw/zinc/43/38/40/822433840.db2.gz JUEBRGJROSXLKH-LJQANCHMSA-N 1 3 394.563 4.444 20 0 GIADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007942 822433843 /nfs/dbraw/zinc/43/38/43/822433843.db2.gz JUEBRGJROSXLKH-LJQANCHMSA-N 1 3 394.563 4.444 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(SC)CCOCC2)ccc1OC ZINC000183304264 822455973 /nfs/dbraw/zinc/45/59/73/822455973.db2.gz ULRFMPCLDWZFJO-QGZVFWFLSA-N 1 3 380.598 4.100 20 0 GIADHO C[C@H](c1ccccc1Cl)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179309732 822464177 /nfs/dbraw/zinc/46/41/77/822464177.db2.gz RNGDWBBAQDOQAZ-GOSISDBHSA-N 1 3 391.987 4.105 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1CN1CCCCC1 ZINC000183387927 822467251 /nfs/dbraw/zinc/46/72/51/822467251.db2.gz YMOKPRQKXAWJJE-UGKGYDQZSA-N 1 3 394.563 4.006 20 0 GIADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(SC(F)F)cc1 ZINC000179510651 822493618 /nfs/dbraw/zinc/49/36/18/822493618.db2.gz QRRCFBVNFFWECQ-CQSZACIVSA-N 1 3 381.492 4.188 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000046917545 822530552 /nfs/dbraw/zinc/53/05/52/822530552.db2.gz MSFDMACTYKGPFK-HSZRJFAPSA-N 1 3 379.548 4.095 20 0 GIADHO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000180328974 822664416 /nfs/dbraw/zinc/66/44/16/822664416.db2.gz ICYPTWJKXBURFA-UHFFFAOYSA-N 1 3 379.589 4.067 20 0 GIADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048714300 822679387 /nfs/dbraw/zinc/67/93/87/822679387.db2.gz GOTWLANFUWKGSQ-SFHVURJKSA-N 1 3 398.551 4.008 20 0 GIADHO C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCN1Cc1ccccc1 ZINC000455835291 822733906 /nfs/dbraw/zinc/73/39/06/822733906.db2.gz ACFMCGUMDHSOIZ-ZQMYSKGWSA-N 1 3 392.547 4.020 20 0 GIADHO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000455838566 822734781 /nfs/dbraw/zinc/73/47/81/822734781.db2.gz BUWQOQJTDBLMAP-USCONSEESA-N 1 3 380.536 4.048 20 0 GIADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CN1Cc1ccccc1 ZINC000455939958 822753788 /nfs/dbraw/zinc/75/37/88/822753788.db2.gz UAOZBFDLQCKKIZ-ODOSVJCGSA-N 1 3 392.547 4.020 20 0 GIADHO CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000570322595 823025721 /nfs/dbraw/zinc/02/57/21/823025721.db2.gz DHUPJYKPBXOVNT-YNEXMFEJSA-N 1 3 386.580 4.390 20 0 GIADHO O=C(NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)c1ccccc1 ZINC000411150015 823551850 /nfs/dbraw/zinc/55/18/50/823551850.db2.gz YCIBORUVQVPYDG-UHFFFAOYSA-N 1 3 391.559 4.067 20 0 GIADHO CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223548 823558456 /nfs/dbraw/zinc/55/84/56/823558456.db2.gz OQFGGGSBCUSJBX-HXUWFJFHSA-N 1 3 385.596 4.045 20 0 GIADHO CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411262499 823560863 /nfs/dbraw/zinc/56/08/63/823560863.db2.gz HQTKFEQSTCATCX-JOCHJYFZSA-N 1 3 385.596 4.047 20 0 GIADHO O=C(NC1CCCCC1)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411349126 823565753 /nfs/dbraw/zinc/56/57/53/823565753.db2.gz HYIUHSVPCSRMLM-UHFFFAOYSA-N 1 3 397.607 4.333 20 0 GIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000163762729 823746189 /nfs/dbraw/zinc/74/61/89/823746189.db2.gz VCAFAQLNPPZYEN-GOSISDBHSA-N 1 3 381.520 4.336 20 0 GIADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000125997601 823763162 /nfs/dbraw/zinc/76/31/62/823763162.db2.gz OMZOJSBXPMYWFN-KRWDZBQOSA-N 1 3 381.967 4.154 20 0 GIADHO CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126749746 823941414 /nfs/dbraw/zinc/94/14/14/823941414.db2.gz QNZRBTQPZAJYJB-MSOLQXFVSA-N 1 3 385.527 4.388 20 0 GIADHO Fc1ccc(N2CC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342625 823961862 /nfs/dbraw/zinc/96/18/62/823961862.db2.gz ITUBULANWGMBDZ-CJTFWIGWSA-N 1 3 379.523 4.190 20 0 GIADHO Fc1ccc(N2CC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342625 823961871 /nfs/dbraw/zinc/96/18/71/823961871.db2.gz ITUBULANWGMBDZ-CJTFWIGWSA-N 1 3 379.523 4.190 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856118 824042625 /nfs/dbraw/zinc/04/26/25/824042625.db2.gz NXJAQGYFOABSJS-UPJWGTAASA-N 1 3 391.865 4.054 20 0 GIADHO OCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000570592687 823059084 /nfs/dbraw/zinc/05/90/84/823059084.db2.gz GJTJRNOGCUZGPZ-XBYSBRQOSA-N 1 3 384.951 4.264 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000571039771 823124177 /nfs/dbraw/zinc/12/41/77/823124177.db2.gz JTCUZFLLJRBWIR-HSZRJFAPSA-N 1 3 396.575 4.006 20 0 GIADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225657 823142264 /nfs/dbraw/zinc/14/22/64/823142264.db2.gz TZNCJEDZZWGSQP-WMZHIEFXSA-N 1 3 394.563 4.265 20 0 GIADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225657 823142267 /nfs/dbraw/zinc/14/22/67/823142267.db2.gz TZNCJEDZZWGSQP-WMZHIEFXSA-N 1 3 394.563 4.265 20 0 GIADHO Cc1c(CN2CCSCC2)cccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459357146 823170446 /nfs/dbraw/zinc/17/04/46/823170446.db2.gz RKLSUWDGJMMKPK-UHFFFAOYSA-N 1 3 382.577 4.020 20 0 GIADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000571427860 823181259 /nfs/dbraw/zinc/18/12/59/823181259.db2.gz PYXWPAQAQUQOID-ICDZXHCJSA-N 1 3 394.607 4.250 20 0 GIADHO Clc1ccc([C@@H]2CCCCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633874 823212680 /nfs/dbraw/zinc/21/26/80/823212680.db2.gz DIZPRIQSQDXIRB-OALUTQOASA-N 1 3 387.959 4.131 20 0 GIADHO C[C@H](NCc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1)c1cncc(F)c1 ZINC000459622622 823231282 /nfs/dbraw/zinc/23/12/82/823231282.db2.gz PHRGGDJZZSQSCZ-HOTGVXAUSA-N 1 3 382.458 4.456 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257552 /nfs/dbraw/zinc/25/75/52/823257552.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 1 3 393.550 4.010 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257556 /nfs/dbraw/zinc/25/75/56/823257556.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 1 3 393.550 4.010 20 0 GIADHO CN(C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353275 /nfs/dbraw/zinc/35/32/75/823353275.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353281 /nfs/dbraw/zinc/35/32/81/823353281.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 1 3 381.539 4.215 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC000410356302 823472067 /nfs/dbraw/zinc/47/20/67/823472067.db2.gz BHYISUYSCPTPFU-PWRODBHTSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC000410356302 823472072 /nfs/dbraw/zinc/47/20/72/823472072.db2.gz BHYISUYSCPTPFU-PWRODBHTSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)nc21 ZINC000410356302 823472076 /nfs/dbraw/zinc/47/20/76/823472076.db2.gz BHYISUYSCPTPFU-PWRODBHTSA-N 1 3 375.516 4.179 20 0 GIADHO c1c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907272 820707120 /nfs/dbraw/zinc/70/71/20/820707120.db2.gz PKGJVPPETXKEEA-NRFANRHFSA-N 1 3 386.543 4.172 20 0 GIADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000180976203 821568673 /nfs/dbraw/zinc/56/86/73/821568673.db2.gz DYNGIMWRIZRUGC-DVECYGJZSA-N 1 3 391.559 4.240 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000181416753 821814365 /nfs/dbraw/zinc/81/43/65/821814365.db2.gz LPZZSNPZQWPJKM-AGRHKRQWSA-N 1 3 399.348 4.007 20 0 GIADHO CC(C)[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000182109409 822097570 /nfs/dbraw/zinc/09/75/70/822097570.db2.gz FJYJHDRYIKQKFP-HSZRJFAPSA-N 1 3 388.502 4.408 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1CN1CCCCC1 ZINC000182204699 822146060 /nfs/dbraw/zinc/14/60/60/822146060.db2.gz ZJESYOUHXDGVQC-GHTZIAJQSA-N 1 3 385.552 4.228 20 0 GIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235470 822159866 /nfs/dbraw/zinc/15/98/66/822159866.db2.gz ZUZVTWOCUHTVHV-FYYLOGMGSA-N 1 3 392.543 4.179 20 0 GIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235470 822159873 /nfs/dbraw/zinc/15/98/73/822159873.db2.gz ZUZVTWOCUHTVHV-FYYLOGMGSA-N 1 3 392.543 4.179 20 0 GIADHO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)cc1 ZINC000182286772 822187641 /nfs/dbraw/zinc/18/76/41/822187641.db2.gz BUYWJVSMKBQIDM-JPYJTQIMSA-N 1 3 398.547 4.074 20 0 GIADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCCO2 ZINC000178253814 822359110 /nfs/dbraw/zinc/35/91/10/822359110.db2.gz ADAVJAVFWXIOTE-GOSISDBHSA-N 1 3 379.342 4.127 20 0 GIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178800695 822411479 /nfs/dbraw/zinc/41/14/79/822411479.db2.gz GSFBJEJNXNQDKQ-DYESRHJHSA-N 1 3 390.543 4.299 20 0 GIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178800656 822411545 /nfs/dbraw/zinc/41/15/45/822411545.db2.gz GSFBJEJNXNQDKQ-UWJYYQICSA-N 1 3 390.543 4.299 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029558 822414143 /nfs/dbraw/zinc/41/41/43/822414143.db2.gz DRGPJAIPECPGND-SJORKVTESA-N 1 3 386.584 4.169 20 0 GIADHO C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183100601 822424453 /nfs/dbraw/zinc/42/44/53/822424453.db2.gz JEDABQCFPNBFPZ-AZUAARDMSA-N 1 3 393.616 4.266 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183226186 822444268 /nfs/dbraw/zinc/44/42/68/822444268.db2.gz AWJHQQHTNCSFEO-CVEARBPZSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000183226186 822444270 /nfs/dbraw/zinc/44/42/70/822444270.db2.gz AWJHQQHTNCSFEO-CVEARBPZSA-N 1 3 385.474 4.277 20 0 GIADHO Cc1cc([C@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371556 822472694 /nfs/dbraw/zinc/47/26/94/822472694.db2.gz ZYHVPHFRPLYOPO-ROUUACIJSA-N 1 3 399.604 4.185 20 0 GIADHO CN1CC[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179508473 822493197 /nfs/dbraw/zinc/49/31/97/822493197.db2.gz NNYGNIWHRMVCSO-OXQOHEQNSA-N 1 3 381.967 4.324 20 0 GIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179509464 822493409 /nfs/dbraw/zinc/49/34/09/822493409.db2.gz FRTAHBKEFRPGHZ-INIZCTEOSA-N 1 3 396.560 4.305 20 0 GIADHO Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180176185 822632830 /nfs/dbraw/zinc/63/28/30/822632830.db2.gz AQOWXUVQCNYKRG-FDFHNCONSA-N 1 3 388.559 4.006 20 0 GIADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000180180056 822633530 /nfs/dbraw/zinc/63/35/30/822633530.db2.gz YVRNZRQYQDACLP-HSZRJFAPSA-N 1 3 397.538 4.138 20 0 GIADHO Cc1cc([C@H]([NH2+]C[C@@H](C)N2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180464327 822686855 /nfs/dbraw/zinc/68/68/55/822686855.db2.gz CAHRULRILCBTKC-VGSWGCGISA-N 1 3 389.946 4.102 20 0 GIADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1 ZINC000050802631 822739085 /nfs/dbraw/zinc/73/90/85/822739085.db2.gz DOYOHGIWKXJHSN-UHFFFAOYSA-N 1 3 383.580 4.023 20 0 GIADHO Clc1cccc(-c2noc(CCNC3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000174397242 822783920 /nfs/dbraw/zinc/78/39/20/822783920.db2.gz MARYWQRNTARIKY-UHFFFAOYSA-N 1 3 396.922 4.187 20 0 GIADHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OCc1ccccc1 ZINC000174598509 822810307 /nfs/dbraw/zinc/81/03/07/822810307.db2.gz IUXXCLGUJZQAQZ-FRIKZZABSA-N 1 3 380.532 4.379 20 0 GIADHO c1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411305630 823563814 /nfs/dbraw/zinc/56/38/14/823563814.db2.gz DPWXPHAXTRIYMI-XMMPIXPASA-N 1 3 386.580 4.223 20 0 GIADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000411713400 823599090 /nfs/dbraw/zinc/59/90/90/823599090.db2.gz WZIBTKXJQBXISO-UHFFFAOYSA-N 1 3 383.580 4.057 20 0 GIADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000412160597 823631609 /nfs/dbraw/zinc/63/16/09/823631609.db2.gz JNJNEIOXMBYPFW-UHFFFAOYSA-N 1 3 383.580 4.199 20 0 GIADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(CN4CCCCC4)c3)ccc21 ZINC000412376252 823650737 /nfs/dbraw/zinc/65/07/37/823650737.db2.gz HSMCAJIMOBCSNK-QHCPKHFHSA-N 1 3 377.532 4.474 20 0 GIADHO CC(C)[NH+]1CCC(N[C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191528637 823695951 /nfs/dbraw/zinc/69/59/51/823695951.db2.gz VDANUGMIGDUEDH-HXUWFJFHSA-N 1 3 395.385 4.379 20 0 GIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000163540329 823719453 /nfs/dbraw/zinc/71/94/53/823719453.db2.gz XDSCQHGDULCJKB-GOSISDBHSA-N 1 3 381.520 4.336 20 0 GIADHO C[C@@H](CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559133 823765981 /nfs/dbraw/zinc/76/59/81/823765981.db2.gz SMPJHAOYYOCPIY-WIOPSUGQSA-N 1 3 377.576 4.072 20 0 GIADHO C[C@@H](CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559133 823765987 /nfs/dbraw/zinc/76/59/87/823765987.db2.gz SMPJHAOYYOCPIY-WIOPSUGQSA-N 1 3 377.576 4.072 20 0 GIADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000164442002 823802753 /nfs/dbraw/zinc/80/27/53/823802753.db2.gz HMNCRIGEUVEITC-HNNXBMFYSA-N 1 3 396.373 4.020 20 0 GIADHO CCCN1CCC([NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462111932 823831434 /nfs/dbraw/zinc/83/14/34/823831434.db2.gz NFQUAQPDNICFTE-JOCHJYFZSA-N 1 3 380.511 4.381 20 0 GIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335275 823844557 /nfs/dbraw/zinc/84/45/57/823844557.db2.gz XWLPFEQIRJURHB-IFMALSPDSA-N 1 3 391.559 4.029 20 0 GIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000414292304 823952462 /nfs/dbraw/zinc/95/24/62/823952462.db2.gz APDGCKYFTIHCKY-KRWDZBQOSA-N 1 3 392.465 4.383 20 0 GIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000414292305 823953132 /nfs/dbraw/zinc/95/31/32/823953132.db2.gz APDGCKYFTIHCKY-QGZVFWFLSA-N 1 3 392.465 4.383 20 0 GIADHO C[C@@H]1C[NH+](CC2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C[C@@H](C)O1 ZINC000170780165 823970029 /nfs/dbraw/zinc/97/00/29/823970029.db2.gz JCAILIOUWYIOQT-QZTJIDSGSA-N 1 3 385.577 4.131 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000121089892 823116724 /nfs/dbraw/zinc/11/67/24/823116724.db2.gz AFIWMXQYOALKAT-CQSZACIVSA-N 1 3 396.373 4.019 20 0 GIADHO Cc1cnc(CCN(C)[C@@H]2CCC[N@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280820 823312442 /nfs/dbraw/zinc/31/24/42/823312442.db2.gz RJUHHBCTFOLCRW-HSZRJFAPSA-N 1 3 394.607 4.282 20 0 GIADHO Cc1cnc(CCN(C)[C@@H]2CCC[N@@H+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280820 823312446 /nfs/dbraw/zinc/31/24/46/823312446.db2.gz RJUHHBCTFOLCRW-HSZRJFAPSA-N 1 3 394.607 4.282 20 0 GIADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000177310095 823428904 /nfs/dbraw/zinc/42/89/04/823428904.db2.gz NPXQQVYWTBYZPK-FQEVSTJZSA-N 1 3 393.575 4.010 20 0 GIADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000177419163 823458306 /nfs/dbraw/zinc/45/83/06/823458306.db2.gz QWNCNESOVKVPSA-OALUTQOASA-N 1 3 394.563 4.026 20 0 GIADHO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc(CN(C)C)c3)cc2)CC1 ZINC000410334480 823466173 /nfs/dbraw/zinc/46/61/73/823466173.db2.gz FQVVMTSDQLKQFD-UHFFFAOYSA-N 1 3 394.563 4.302 20 0 GIADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)CC3 ZINC000123341051 823498842 /nfs/dbraw/zinc/49/88/42/823498842.db2.gz RZHWBECHOFPROB-SFHVURJKSA-N 1 3 381.564 4.421 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(I)cc1 ZINC000123704626 823533297 /nfs/dbraw/zinc/53/32/97/823533297.db2.gz AHOHFRYWTHITEP-CQSZACIVSA-N 1 3 394.300 4.204 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643742 821379677 /nfs/dbraw/zinc/37/96/77/821379677.db2.gz WMBBUBJKLPVFNJ-KDOFPFPSSA-N 1 3 379.331 4.411 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643742 821379688 /nfs/dbraw/zinc/37/96/88/821379688.db2.gz WMBBUBJKLPVFNJ-KDOFPFPSSA-N 1 3 379.331 4.411 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241152 822162744 /nfs/dbraw/zinc/16/27/44/822162744.db2.gz GVRYPUUESIDFHM-OXQOHEQNSA-N 1 3 390.474 4.096 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241152 822162748 /nfs/dbraw/zinc/16/27/48/822162748.db2.gz GVRYPUUESIDFHM-OXQOHEQNSA-N 1 3 390.474 4.096 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000178481269 822383909 /nfs/dbraw/zinc/38/39/09/822383909.db2.gz LQADYPRSUSXZDM-HSZRJFAPSA-N 1 3 382.548 4.152 20 0 GIADHO C[C@@H](NCc1ccc(Br)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000178713479 822405125 /nfs/dbraw/zinc/40/51/25/822405125.db2.gz DNPJMOWVKFZUPA-CYBMUJFWSA-N 1 3 383.355 4.302 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1CN1CCCCC1 ZINC000183009284 822410573 /nfs/dbraw/zinc/41/05/73/822410573.db2.gz CTHYIOXJHPGRBD-NFBKMPQASA-N 1 3 396.575 4.498 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1CN1CCCCC1 ZINC000183081056 822422216 /nfs/dbraw/zinc/42/22/16/822422216.db2.gz ULHXEUKICCRSDQ-XXBNENTESA-N 1 3 382.548 4.108 20 0 GIADHO C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183100662 822424514 /nfs/dbraw/zinc/42/45/14/822424514.db2.gz JEDABQCFPNBFPZ-QUCCMNQESA-N 1 3 393.616 4.266 20 0 GIADHO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000183137633 822429335 /nfs/dbraw/zinc/42/93/35/822429335.db2.gz NBJUZUHOLGVOBS-ZKMPZPQNSA-N 1 3 391.559 4.078 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc([S@](C)=O)cc2)ccc1OC ZINC000183320789 822458679 /nfs/dbraw/zinc/45/86/79/822458679.db2.gz JNMGUYFEZDGJFQ-SOKVYYICSA-N 1 3 388.577 4.125 20 0 GIADHO Cc1cc([C@@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371546 822472687 /nfs/dbraw/zinc/47/26/87/822472687.db2.gz ZYHVPHFRPLYOPO-MSOLQXFVSA-N 1 3 399.604 4.185 20 0 GIADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C(C)C)CC1 ZINC000052006986 822786504 /nfs/dbraw/zinc/78/65/04/822786504.db2.gz CLPPCVGIZFNCSQ-VWLOTQADSA-N 1 3 393.575 4.063 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000174767828 822834523 /nfs/dbraw/zinc/83/45/23/822834523.db2.gz GUYHUZKQEOXIPB-UHFFFAOYSA-N 1 3 393.531 4.265 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000174767828 822834526 /nfs/dbraw/zinc/83/45/26/822834526.db2.gz GUYHUZKQEOXIPB-UHFFFAOYSA-N 1 3 393.531 4.265 20 0 GIADHO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000186154303 822856366 /nfs/dbraw/zinc/85/63/66/822856366.db2.gz YYHAHBAKXCLWND-GJZGRUSLSA-N 1 3 377.529 4.059 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3CCC(C)C)CC2)CC1 ZINC000569470916 822927121 /nfs/dbraw/zinc/92/71/21/822927121.db2.gz PZPSBHFIUJMNHW-UHFFFAOYSA-N 1 3 385.596 4.410 20 0 GIADHO Cc1c(Br)cccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176562 823012517 /nfs/dbraw/zinc/01/25/17/823012517.db2.gz SVSIJISHEUEEPS-AZUAARDMSA-N 1 3 387.321 4.103 20 0 GIADHO CCCCCNC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411161949 823553246 /nfs/dbraw/zinc/55/32/46/823553246.db2.gz FWLCMSNWPXSFGV-UHFFFAOYSA-N 1 3 385.596 4.191 20 0 GIADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000411473905 823579026 /nfs/dbraw/zinc/57/90/26/823579026.db2.gz WUAAWXRKHWKSDY-QGZVFWFLSA-N 1 3 399.966 4.258 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517679 823583658 /nfs/dbraw/zinc/58/36/58/823583658.db2.gz NHTFBZJIKQFXOP-AZUAARDMSA-N 1 3 379.548 4.411 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517679 823583661 /nfs/dbraw/zinc/58/36/61/823583661.db2.gz NHTFBZJIKQFXOP-AZUAARDMSA-N 1 3 379.548 4.411 20 0 GIADHO C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254856 823640395 /nfs/dbraw/zinc/64/03/95/823640395.db2.gz YSMLVUJTCLVOEU-UGKGYDQZSA-N 1 3 383.580 4.055 20 0 GIADHO C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254856 823640396 /nfs/dbraw/zinc/64/03/96/823640396.db2.gz YSMLVUJTCLVOEU-UGKGYDQZSA-N 1 3 383.580 4.055 20 0 GIADHO CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)cccc21 ZINC000412309451 823645221 /nfs/dbraw/zinc/64/52/21/823645221.db2.gz SCUPCDQWKIRTQN-QFIPXVFZSA-N 1 3 393.531 4.310 20 0 GIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000163559905 823721513 /nfs/dbraw/zinc/72/15/13/823721513.db2.gz MDIMOBUFOXABDO-GOSISDBHSA-N 1 3 381.520 4.336 20 0 GIADHO COc1ccc([C@H](CN(C)C)N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877613 823849469 /nfs/dbraw/zinc/84/94/69/823849469.db2.gz QPMFPIIMVHZEEQ-VWNXMTODSA-N 1 3 393.575 4.085 20 0 GIADHO COc1ccc([C@H](CN(C)C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877613 823849482 /nfs/dbraw/zinc/84/94/82/823849482.db2.gz QPMFPIIMVHZEEQ-VWNXMTODSA-N 1 3 393.575 4.085 20 0 GIADHO COc1ccc([C@@H](CN(C)C)N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877606 823849693 /nfs/dbraw/zinc/84/96/93/823849693.db2.gz QPMFPIIMVHZEEQ-ISKFKSNPSA-N 1 3 393.575 4.085 20 0 GIADHO COc1ccc([C@@H](CN(C)C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877606 823849702 /nfs/dbraw/zinc/84/97/02/823849702.db2.gz QPMFPIIMVHZEEQ-ISKFKSNPSA-N 1 3 393.575 4.085 20 0 GIADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000575027288 823892444 /nfs/dbraw/zinc/89/24/44/823892444.db2.gz YNDYDZWBAGUASS-MRXNPFEDSA-N 1 3 388.353 4.161 20 0 GIADHO COc1cccc2cc([C@H](C)[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)oc21 ZINC000414314423 823956421 /nfs/dbraw/zinc/95/64/21/823956421.db2.gz ZUJQBYASQSGRNQ-SFHVURJKSA-N 1 3 394.515 4.119 20 0 GIADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C(F)(F)F ZINC000414344766 823961912 /nfs/dbraw/zinc/96/19/12/823961912.db2.gz ZSQCRGTUIPYIRJ-UHFFFAOYSA-N 1 3 392.465 4.260 20 0 GIADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805170 824037747 /nfs/dbraw/zinc/03/77/47/824037747.db2.gz AEXVPDDYKJRYOR-DGCLKSJQSA-N 1 3 379.854 4.183 20 0 GIADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854236 824042544 /nfs/dbraw/zinc/04/25/44/824042544.db2.gz USPHTXAZSIQYJN-DGCLKSJQSA-N 1 3 379.854 4.039 20 0 GIADHO Cc1[nH+]c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc2[nH]ccc21 ZINC001164905491 721720973 /nfs/dbraw/zinc/72/09/73/721720973.db2.gz GXTBWYSHHSKBGM-NRFANRHFSA-N 1 3 397.473 4.004 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000122994992 823445528 /nfs/dbraw/zinc/44/55/28/823445528.db2.gz LNSVZFXQNNWMON-SFHVURJKSA-N 1 3 379.504 4.090 20 0 GIADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(Br)cc1Br ZINC000044516489 821598108 /nfs/dbraw/zinc/59/81/08/821598108.db2.gz RUHJHTSLZVPIBU-LLVKDONJSA-N 1 3 390.163 4.204 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425558 821820150 /nfs/dbraw/zinc/82/01/50/821820150.db2.gz XOMMBZLRLXUYNY-QOKNQOGYSA-N 1 3 393.622 4.436 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425558 821820157 /nfs/dbraw/zinc/82/01/57/821820157.db2.gz XOMMBZLRLXUYNY-QOKNQOGYSA-N 1 3 393.622 4.436 20 0 GIADHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774904 821987812 /nfs/dbraw/zinc/98/78/12/821987812.db2.gz DELJBHWYZMARAX-KUHUBIRLSA-N 1 3 399.348 4.130 20 0 GIADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1CN1CCCCC1 ZINC000182259529 822173921 /nfs/dbraw/zinc/17/39/21/822173921.db2.gz ZQHQDFKAOVPWKJ-SFHVURJKSA-N 1 3 395.547 4.490 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263560 822176798 /nfs/dbraw/zinc/17/67/98/822176798.db2.gz OMYZGZXTYHIIQX-QAPCUYQASA-N 1 3 378.438 4.123 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263560 822176801 /nfs/dbraw/zinc/17/68/01/822176801.db2.gz OMYZGZXTYHIIQX-QAPCUYQASA-N 1 3 378.438 4.123 20 0 GIADHO Brc1cccc2c1OCCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178254992 822359131 /nfs/dbraw/zinc/35/91/31/822359131.db2.gz YBRMCEVITCVICK-GOSISDBHSA-N 1 3 379.342 4.127 20 0 GIADHO Cc1cccc(COc2ccc([C@H](C)NCCC[NH+]3CCC(O)CC3)cc2)c1 ZINC000178523074 822387657 /nfs/dbraw/zinc/38/76/57/822387657.db2.gz KMURWBWFPNIJJY-FQEVSTJZSA-N 1 3 382.548 4.071 20 0 GIADHO Cc1cccc(COc2ccc([C@@H](C)NCCC[NH+]3CCC(O)CC3)cc2)c1 ZINC000178523063 822387757 /nfs/dbraw/zinc/38/77/57/822387757.db2.gz KMURWBWFPNIJJY-HXUWFJFHSA-N 1 3 382.548 4.071 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OC ZINC000183011066 822410887 /nfs/dbraw/zinc/41/08/87/822410887.db2.gz TVUIKSWMRYTVOZ-IIBYNOLFSA-N 1 3 376.566 4.157 20 0 GIADHO CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000183137009 822429322 /nfs/dbraw/zinc/42/93/22/822429322.db2.gz LKDNXHJQGJJEGL-PCCBWWKXSA-N 1 3 382.552 4.016 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1OC ZINC000183355024 822462855 /nfs/dbraw/zinc/46/28/55/822462855.db2.gz ZGCWNOPEGHEXJD-RBDMOPTHSA-N 1 3 392.609 4.242 20 0 GIADHO CCc1ccccc1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397061 822476811 /nfs/dbraw/zinc/47/68/11/822476811.db2.gz ZHAGUGAOKXOWHK-LJQANCHMSA-N 1 3 394.563 4.210 20 0 GIADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756216 822544223 /nfs/dbraw/zinc/54/42/23/822544223.db2.gz UWAFQTMVWXBYJP-RDPSFJRHSA-N 1 3 378.564 4.390 20 0 GIADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)ccc21 ZINC000455887883 822742810 /nfs/dbraw/zinc/74/28/10/822742810.db2.gz XGXGSKSGLOIRJZ-VQTJNVASSA-N 1 3 398.576 4.256 20 0 GIADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CN1Cc1ccccc1 ZINC000455939953 822753780 /nfs/dbraw/zinc/75/37/80/822753780.db2.gz UAOZBFDLQCKKIZ-OAOOKAIFSA-N 1 3 392.547 4.020 20 0 GIADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCc1ccccc1 ZINC000174600710 822810536 /nfs/dbraw/zinc/81/05/36/822810536.db2.gz GRVFVTJVSPBCHB-FRIKZZABSA-N 1 3 380.532 4.379 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823564007 /nfs/dbraw/zinc/56/40/07/823564007.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 1 3 399.604 4.148 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823564010 /nfs/dbraw/zinc/56/40/10/823564010.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 1 3 399.604 4.148 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564113 /nfs/dbraw/zinc/56/41/13/823564113.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 1 3 399.604 4.148 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564118 /nfs/dbraw/zinc/56/41/18/823564118.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 1 3 399.604 4.148 20 0 GIADHO COC(=O)COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000411547485 823587372 /nfs/dbraw/zinc/58/73/72/823587372.db2.gz VKTWXYOQKNXGDO-IBGZPJMESA-N 1 3 396.531 4.075 20 0 GIADHO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)c1 ZINC000125498834 823680997 /nfs/dbraw/zinc/68/09/97/823680997.db2.gz MGZJNQYUDLBNAL-OAQYLSRUSA-N 1 3 396.535 4.038 20 0 GIADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970318 823766602 /nfs/dbraw/zinc/76/66/02/823766602.db2.gz SDHOVTWWOKTSMI-GOSISDBHSA-N 1 3 386.511 4.166 20 0 GIADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970318 823766607 /nfs/dbraw/zinc/76/66/07/823766607.db2.gz SDHOVTWWOKTSMI-GOSISDBHSA-N 1 3 386.511 4.166 20 0 GIADHO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000461977481 823779463 /nfs/dbraw/zinc/77/94/63/823779463.db2.gz NWWKKWXQKFOXBU-QHCPKHFHSA-N 1 3 385.596 4.010 20 0 GIADHO CSC1(CNCc2cc(Cl)ccc2Br)CC[NH+](C)CC1 ZINC000574680159 823799328 /nfs/dbraw/zinc/79/93/28/823799328.db2.gz WIAUBOQXXGBKSV-UHFFFAOYSA-N 1 3 377.779 4.020 20 0 GIADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324336 823875336 /nfs/dbraw/zinc/87/53/36/823875336.db2.gz RQOGNSFAOLBTKN-XUVXKRRUSA-N 1 3 383.502 4.305 20 0 GIADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324336 823875343 /nfs/dbraw/zinc/87/53/43/823875343.db2.gz RQOGNSFAOLBTKN-XUVXKRRUSA-N 1 3 383.502 4.305 20 0 GIADHO C[C@H]1C[NH+](CC2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000170780164 823970173 /nfs/dbraw/zinc/97/01/73/823970173.db2.gz JCAILIOUWYIOQT-ROUUACIJSA-N 1 3 385.577 4.131 20 0 GIADHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000575742276 823984642 /nfs/dbraw/zinc/98/46/42/823984642.db2.gz CDONOYMEGZPYOK-UHFFFAOYSA-N 1 3 393.531 4.414 20 0 GIADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854234 824042661 /nfs/dbraw/zinc/04/26/61/824042661.db2.gz USPHTXAZSIQYJN-AAEUAGOBSA-N 1 3 379.854 4.039 20 0 GIADHO c1c(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459381314 823178273 /nfs/dbraw/zinc/17/82/73/823178273.db2.gz BWOZKOADDYZOSM-UHFFFAOYSA-N 1 3 379.552 4.024 20 0 GIADHO C[C@@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868087 823247725 /nfs/dbraw/zinc/24/77/25/823247725.db2.gz SONWXWUGKGFGSA-JSRJAPPDSA-N 1 3 389.547 4.361 20 0 GIADHO C[C@@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868087 823247727 /nfs/dbraw/zinc/24/77/27/823247727.db2.gz SONWXWUGKGFGSA-JSRJAPPDSA-N 1 3 389.547 4.361 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CC2)CC1 ZINC000572132420 823288316 /nfs/dbraw/zinc/28/83/16/823288316.db2.gz DPKFDIXOFAMSNV-UHFFFAOYSA-N 1 3 398.551 4.086 20 0 GIADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353400 /nfs/dbraw/zinc/35/34/00/823353400.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353406 /nfs/dbraw/zinc/35/34/06/823353406.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 1 3 381.539 4.215 20 0 GIADHO C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671520 823379493 /nfs/dbraw/zinc/37/94/93/823379493.db2.gz IOFKNYXDFIQLFM-HRAATJIYSA-N 1 3 376.928 4.055 20 0 GIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100719 823447450 /nfs/dbraw/zinc/44/74/50/823447450.db2.gz IOCNIIKOVVATHO-KGVIQGDOSA-N 1 3 377.532 4.275 20 0 GIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100719 823447452 /nfs/dbraw/zinc/44/74/52/823447452.db2.gz IOCNIIKOVVATHO-KGVIQGDOSA-N 1 3 377.532 4.275 20 0 GIADHO C[NH+](C)Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000026318389 820081822 /nfs/dbraw/zinc/08/18/22/820081822.db2.gz FKFSCWCHKQTBCP-UHFFFAOYSA-N 1 3 397.526 4.286 20 0 GIADHO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000042229105 821288627 /nfs/dbraw/zinc/28/86/27/821288627.db2.gz MIWNFUVDBNKHBQ-QGZVFWFLSA-N 1 3 378.545 4.175 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640466 821378992 /nfs/dbraw/zinc/37/89/92/821378992.db2.gz KCMBSDLSABLQJB-QRWLVFNGSA-N 1 3 378.438 4.123 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640466 821378999 /nfs/dbraw/zinc/37/89/99/821378999.db2.gz KCMBSDLSABLQJB-QRWLVFNGSA-N 1 3 378.438 4.123 20 0 GIADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000180975806 821567683 /nfs/dbraw/zinc/56/76/83/821567683.db2.gz LZTABYHCHNIHDA-QGZVFWFLSA-N 1 3 385.939 4.016 20 0 GIADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225078 822155598 /nfs/dbraw/zinc/15/55/98/822155598.db2.gz DIJPIXMNSGGPBE-FYYLOGMGSA-N 1 3 382.548 4.201 20 0 GIADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225078 822155603 /nfs/dbraw/zinc/15/56/03/822155603.db2.gz DIJPIXMNSGGPBE-FYYLOGMGSA-N 1 3 382.548 4.201 20 0 GIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCSc2c(F)cccc21 ZINC000182225568 822155725 /nfs/dbraw/zinc/15/57/25/822155725.db2.gz HJOYLKGJFKXUHW-NQIIRXRSSA-N 1 3 386.536 4.109 20 0 GIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCSc2c(F)cccc21 ZINC000182225568 822155729 /nfs/dbraw/zinc/15/57/29/822155729.db2.gz HJOYLKGJFKXUHW-NQIIRXRSSA-N 1 3 386.536 4.109 20 0 GIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244795 822165889 /nfs/dbraw/zinc/16/58/89/822165889.db2.gz VUBHVLAGSGYZQY-VWNXMTODSA-N 1 3 394.559 4.264 20 0 GIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244795 822165895 /nfs/dbraw/zinc/16/58/95/822165895.db2.gz VUBHVLAGSGYZQY-VWNXMTODSA-N 1 3 394.559 4.264 20 0 GIADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000178239881 822357514 /nfs/dbraw/zinc/35/75/14/822357514.db2.gz PSCQOKNVEAPHRC-MGPUTAFESA-N 1 3 391.437 4.099 20 0 GIADHO c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CCO2)c1 ZINC000453407908 822358667 /nfs/dbraw/zinc/35/86/67/822358667.db2.gz DXLINUBPSODCNR-ZSYZGHEHSA-N 1 3 382.573 4.468 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000178481255 822383948 /nfs/dbraw/zinc/38/39/48/822383948.db2.gz LQADYPRSUSXZDM-QHCPKHFHSA-N 1 3 382.548 4.152 20 0 GIADHO OC1CC[NH+](Cc2ccc(CN[C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178794925 822410548 /nfs/dbraw/zinc/41/05/48/822410548.db2.gz BSMXNWKOZRVBSH-OAQYLSRUSA-N 1 3 386.536 4.109 20 0 GIADHO C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000183141523 822430300 /nfs/dbraw/zinc/43/03/00/822430300.db2.gz FZDOQHKYTTXDTJ-RBQRNVLBSA-N 1 3 392.547 4.129 20 0 GIADHO C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000183141523 822430303 /nfs/dbraw/zinc/43/03/03/822430303.db2.gz FZDOQHKYTTXDTJ-RBQRNVLBSA-N 1 3 392.547 4.129 20 0 GIADHO COc1ccc2cc([C@@H](C)NCc3ccnc(OCC[NH+](C)C)c3)ccc2c1 ZINC000179511169 822493683 /nfs/dbraw/zinc/49/36/83/822493683.db2.gz JSCKQTSEGDNDMJ-QGZVFWFLSA-N 1 3 379.504 4.035 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000046671123 822501803 /nfs/dbraw/zinc/50/18/03/822501803.db2.gz WAQBVPCGNRKCJM-FQEVSTJZSA-N 1 3 385.577 4.157 20 0 GIADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455836246 822734320 /nfs/dbraw/zinc/73/43/20/822734320.db2.gz AVAWOKXJQIQUSF-CWFSZBLJSA-N 1 3 384.524 4.079 20 0 GIADHO COC(=O)c1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000569150286 822884255 /nfs/dbraw/zinc/88/42/55/822884255.db2.gz YUAPSHYIZPNNAT-MIJOPJBOSA-N 1 3 384.545 4.381 20 0 GIADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569928284 822986878 /nfs/dbraw/zinc/98/68/78/822986878.db2.gz AHBODLRVVJNTRQ-KBMXLJTQSA-N 1 3 394.441 4.138 20 0 GIADHO C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)C1 ZINC000411174829 823554602 /nfs/dbraw/zinc/55/46/02/823554602.db2.gz PKQDXGVIBXKANB-OAQYLSRUSA-N 1 3 397.607 4.143 20 0 GIADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411262500 823560874 /nfs/dbraw/zinc/56/08/74/823560874.db2.gz HQTKFEQSTCATCX-QFIPXVFZSA-N 1 3 385.596 4.047 20 0 GIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000061051785 823575505 /nfs/dbraw/zinc/57/55/05/823575505.db2.gz ZSPZNJXPSUTXTB-UHFFFAOYSA-N 1 3 391.353 4.460 20 0 GIADHO CCC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000411450776 823576068 /nfs/dbraw/zinc/57/60/68/823576068.db2.gz GNZJJILEQARWOD-LJQANCHMSA-N 1 3 399.501 4.125 20 0 GIADHO CC[C@@H](C)[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469074 823578507 /nfs/dbraw/zinc/57/85/07/823578507.db2.gz FMDOTQPCUUNTBI-IIBYNOLFSA-N 1 3 379.976 4.006 20 0 GIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000163559794 823721446 /nfs/dbraw/zinc/72/14/46/823721446.db2.gz MDIMOBUFOXABDO-SFHVURJKSA-N 1 3 381.520 4.336 20 0 GIADHO C[N@H+](CCOc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163934029 823762780 /nfs/dbraw/zinc/76/27/80/823762780.db2.gz NAPABHOVLWDWRE-DEOSSOPVSA-N 1 3 398.522 4.092 20 0 GIADHO C[N@@H+](CCOc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163934029 823762784 /nfs/dbraw/zinc/76/27/84/823762784.db2.gz NAPABHOVLWDWRE-DEOSSOPVSA-N 1 3 398.522 4.092 20 0 GIADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016383 823766881 /nfs/dbraw/zinc/76/68/81/823766881.db2.gz CWCFIWSJPCPCCC-LAUBAEHRSA-N 1 3 394.625 4.420 20 0 GIADHO CCN1CCC([NH2+]C[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113587 823832107 /nfs/dbraw/zinc/83/21/07/823832107.db2.gz TXZJOQITIGZSBF-XLIONFOSSA-N 1 3 383.502 4.162 20 0 GIADHO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1OC ZINC000165297347 823842749 /nfs/dbraw/zinc/84/27/49/823842749.db2.gz KXPAZUWKPQIKQG-PZJWPPBQSA-N 1 3 382.548 4.227 20 0 GIADHO CSCc1cc(F)ccc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167106643 823886540 /nfs/dbraw/zinc/88/65/40/823886540.db2.gz DIBRCQHRKIMKPP-MRXNPFEDSA-N 1 3 376.541 4.480 20 0 GIADHO COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1SC ZINC000126723067 823936011 /nfs/dbraw/zinc/93/60/11/823936011.db2.gz OYXKGIAHISRGJJ-SFHVURJKSA-N 1 3 399.604 4.015 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126846997 823965187 /nfs/dbraw/zinc/96/51/87/823965187.db2.gz WTUDDAQIRSQSSA-TZPNTHKFSA-N 1 3 376.591 4.048 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126846997 823965197 /nfs/dbraw/zinc/96/51/97/823965197.db2.gz WTUDDAQIRSQSSA-TZPNTHKFSA-N 1 3 376.591 4.048 20 0 GIADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000121089730 823116369 /nfs/dbraw/zinc/11/63/69/823116369.db2.gz AFIWMXQYOALKAT-AWEZNQCLSA-N 1 3 396.373 4.019 20 0 GIADHO CN(C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124571 /nfs/dbraw/zinc/12/45/71/823124571.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124575 /nfs/dbraw/zinc/12/45/75/823124575.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 1 3 381.539 4.215 20 0 GIADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000571427862 823181334 /nfs/dbraw/zinc/18/13/34/823181334.db2.gz PYXWPAQAQUQOID-QLBJFCOMSA-N 1 3 394.607 4.250 20 0 GIADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(Cl)s1 ZINC000571699808 823221191 /nfs/dbraw/zinc/22/11/91/823221191.db2.gz KXFNGODIPFTKSK-KRWDZBQOSA-N 1 3 398.016 4.165 20 0 GIADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023740873 818978031 /nfs/dbraw/zinc/97/80/31/818978031.db2.gz KFTKMNKBVIJHIG-DEOSSOPVSA-N 1 3 391.559 4.239 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000123008612 823447420 /nfs/dbraw/zinc/44/74/20/823447420.db2.gz FZERTHIWKLEKKH-SFHVURJKSA-N 1 3 379.504 4.090 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000123038145 823451765 /nfs/dbraw/zinc/45/17/65/823451765.db2.gz YKPXSKNERYFYCV-LJQANCHMSA-N 1 3 377.532 4.260 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000123062936 823455536 /nfs/dbraw/zinc/45/55/36/823455536.db2.gz LDPYJJHOUDBXQS-IBGZPJMESA-N 1 3 377.532 4.260 20 0 GIADHO COc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1OCc1ccncc1 ZINC000030545902 820637972 /nfs/dbraw/zinc/63/79/72/820637972.db2.gz IPWYLTHBYPPYCL-UHFFFAOYSA-N 1 3 391.515 4.021 20 0 GIADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000060368359 823520512 /nfs/dbraw/zinc/52/05/12/823520512.db2.gz LMKAVXWHTZTIHW-IRXDYDNUSA-N 1 3 387.955 4.209 20 0 GIADHO C[NH+](C)C1CCN(CCN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180712553 821411544 /nfs/dbraw/zinc/41/15/44/821411544.db2.gz QIVQCTLQIDWQAT-QFIPXVFZSA-N 1 3 389.946 4.184 20 0 GIADHO CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1cccs1 ZINC000180975254 821567309 /nfs/dbraw/zinc/56/73/09/821567309.db2.gz BAJNODIJCAYLOA-NRFANRHFSA-N 1 3 399.604 4.451 20 0 GIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180976691 821568654 /nfs/dbraw/zinc/56/86/54/821568654.db2.gz WIIAWUNKMNJDOT-XXBNENTESA-N 1 3 391.559 4.159 20 0 GIADHO COc1ccccc1[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263787 822176718 /nfs/dbraw/zinc/17/67/18/822176718.db2.gz DYKQASOVTFYCAH-DHLKQENFSA-N 1 3 394.559 4.283 20 0 GIADHO COc1ccccc1[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263787 822176724 /nfs/dbraw/zinc/17/67/24/822176724.db2.gz DYKQASOVTFYCAH-DHLKQENFSA-N 1 3 394.559 4.283 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2cn3ccccc3n2)ccc1OC ZINC000182310551 822198271 /nfs/dbraw/zinc/19/82/71/822198271.db2.gz LSLRPYBYECBIJW-SFHVURJKSA-N 1 3 380.536 4.078 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1CN1CCCCC1 ZINC000182483915 822261088 /nfs/dbraw/zinc/26/10/88/822261088.db2.gz GRVAGWICNDAQMP-SFHVURJKSA-N 1 3 388.552 4.017 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1CN1CCCCC1 ZINC000182825836 822373861 /nfs/dbraw/zinc/37/38/61/822373861.db2.gz MSRBXANKMWHZLL-RBUKOAKNSA-N 1 3 384.568 4.173 20 0 GIADHO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCCN(C2CCC2)C1 ZINC000183191260 822438953 /nfs/dbraw/zinc/43/89/53/822438953.db2.gz YGBLUOQBJFFECZ-KVZCDSOOSA-N 1 3 381.564 4.062 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183226196 822444173 /nfs/dbraw/zinc/44/41/73/822444173.db2.gz AWJHQQHTNCSFEO-HZPDHXFCSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000183226196 822444177 /nfs/dbraw/zinc/44/41/77/822444177.db2.gz AWJHQQHTNCSFEO-HZPDHXFCSA-N 1 3 385.474 4.277 20 0 GIADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391521 822476107 /nfs/dbraw/zinc/47/61/07/822476107.db2.gz DYIXPVHJUCWLCH-FQEVSTJZSA-N 1 3 394.563 4.264 20 0 GIADHO COc1ccc([C@@H](C)NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000180268628 822651530 /nfs/dbraw/zinc/65/15/30/822651530.db2.gz XDJOMZSKURNGSL-QGZVFWFLSA-N 1 3 385.527 4.216 20 0 GIADHO Cc1nc(-c2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)cc2)cs1 ZINC000048685288 822678239 /nfs/dbraw/zinc/67/82/39/822678239.db2.gz VMEAHZYQJPJURL-UHFFFAOYSA-N 1 3 381.545 4.349 20 0 GIADHO Cc1cc([C@@H]([NH2+]C[C@H](C)N2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180464370 822686813 /nfs/dbraw/zinc/68/68/13/822686813.db2.gz CAHRULRILCBTKC-HTAPYJJXSA-N 1 3 389.946 4.102 20 0 GIADHO CN(c1ccccc1CN(CCC(F)(F)F)CC1CC1)C1CC[NH+](C)CC1 ZINC000180537509 822698217 /nfs/dbraw/zinc/69/82/17/822698217.db2.gz QSGOVACTLYRZFN-UHFFFAOYSA-N 1 3 383.502 4.381 20 0 GIADHO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000455838569 822734733 /nfs/dbraw/zinc/73/47/33/822734733.db2.gz BUWQOQJTDBLMAP-WQTXXOFMSA-N 1 3 380.536 4.048 20 0 GIADHO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000186154355 822856331 /nfs/dbraw/zinc/85/63/31/822856331.db2.gz YYHAHBAKXCLWND-HUUCEWRRSA-N 1 3 377.529 4.059 20 0 GIADHO c1cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411305629 823563790 /nfs/dbraw/zinc/56/37/90/823563790.db2.gz DPWXPHAXTRIYMI-DEOSSOPVSA-N 1 3 386.580 4.223 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000411438548 823574179 /nfs/dbraw/zinc/57/41/79/823574179.db2.gz NJVGTOMLYNIWIZ-LJQANCHMSA-N 1 3 375.520 4.104 20 0 GIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000411475571 823579297 /nfs/dbraw/zinc/57/92/97/823579297.db2.gz AQZAMZCJEMTZQB-LJQANCHMSA-N 1 3 375.520 4.104 20 0 GIADHO CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000190994572 823636167 /nfs/dbraw/zinc/63/61/67/823636167.db2.gz WJCOAAVXYSZSJF-NOTZXAQLSA-N 1 3 378.564 4.211 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000125122731 823653042 /nfs/dbraw/zinc/65/30/42/823653042.db2.gz GCJMBKDNWKEXCQ-FQEVSTJZSA-N 1 3 389.547 4.494 20 0 GIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000163562329 823722081 /nfs/dbraw/zinc/72/20/81/823722081.db2.gz MERWNPSXQSFZAW-SFHVURJKSA-N 1 3 381.520 4.336 20 0 GIADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517677 823754001 /nfs/dbraw/zinc/75/40/01/823754001.db2.gz HQIAWIIEPUPDOD-DEOSSOPVSA-N 1 3 394.559 4.136 20 0 GIADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517677 823754007 /nfs/dbraw/zinc/75/40/07/823754007.db2.gz HQIAWIIEPUPDOD-DEOSSOPVSA-N 1 3 394.559 4.136 20 0 GIADHO CN1CCC([NH+]2CCC(NCc3ccc(-c4ccccc4Cl)o3)CC2)CC1 ZINC000126037901 823771847 /nfs/dbraw/zinc/77/18/47/823771847.db2.gz KVGLPIANSXSYKB-UHFFFAOYSA-N 1 3 387.955 4.248 20 0 GIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1OC ZINC000164930812 823825616 /nfs/dbraw/zinc/82/56/16/823825616.db2.gz ZNSJMWSPNQUTPA-NRFANRHFSA-N 1 3 398.547 4.419 20 0 GIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1OC ZINC000164930692 823825752 /nfs/dbraw/zinc/82/57/52/823825752.db2.gz ZNSJMWSPNQUTPA-OAQYLSRUSA-N 1 3 398.547 4.419 20 0 GIADHO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126704947 823931516 /nfs/dbraw/zinc/93/15/16/823931516.db2.gz CGYOFEOGPWLCBJ-KBPBESRZSA-N 1 3 395.444 4.407 20 0 GIADHO Brc1cccc(-c2nc(CNCC[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414830871 824040371 /nfs/dbraw/zinc/04/03/71/824040371.db2.gz CNVRKMXZVPLMCC-CYBMUJFWSA-N 1 3 380.355 4.052 20 0 GIADHO Cc1cc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)[nH+]1 ZINC001164908906 721709945 /nfs/dbraw/zinc/70/99/45/721709945.db2.gz ZKXGPYDASDPYLX-NRFANRHFSA-N 1 3 397.473 4.004 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000572132877 823288131 /nfs/dbraw/zinc/28/81/31/823288131.db2.gz QEPRDDVSIVUXPB-PKTZIBPZSA-N 1 3 397.607 4.025 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000122723039 823400588 /nfs/dbraw/zinc/40/05/88/823400588.db2.gz LGFKJRXODYWIMC-HOTGVXAUSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[N@H+]1CCCC[C@@H]1C ZINC000122723039 823400594 /nfs/dbraw/zinc/40/05/94/823400594.db2.gz LGFKJRXODYWIMC-HOTGVXAUSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCC[C@@H]1C ZINC000122723039 823400598 /nfs/dbraw/zinc/40/05/98/823400598.db2.gz LGFKJRXODYWIMC-HOTGVXAUSA-N 1 3 385.474 4.277 20 0 GIADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000026304135 820080434 /nfs/dbraw/zinc/08/04/34/820080434.db2.gz FGKUPISDSFYTKN-UHFFFAOYSA-N 1 3 376.548 4.276 20 0 GIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)o1 ZINC000030907096 820705903 /nfs/dbraw/zinc/70/59/03/820705903.db2.gz CJZRJZKYMVJNPC-SFHVURJKSA-N 1 3 376.504 4.015 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641732 821379552 /nfs/dbraw/zinc/37/95/52/821379552.db2.gz LIBMNVBYBBJWOO-BEFAXECRSA-N 1 3 394.437 4.003 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641732 821379557 /nfs/dbraw/zinc/37/95/57/821379557.db2.gz LIBMNVBYBBJWOO-BEFAXECRSA-N 1 3 394.437 4.003 20 0 GIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180976712 821568284 /nfs/dbraw/zinc/56/82/84/821568284.db2.gz WIIAWUNKMNJDOT-CVDCTZTESA-N 1 3 391.559 4.159 20 0 GIADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000181204677 821695770 /nfs/dbraw/zinc/69/57/70/821695770.db2.gz NMZMGMMPRFONMX-GOSISDBHSA-N 1 3 398.620 4.010 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000181410767 821811247 /nfs/dbraw/zinc/81/12/47/821811247.db2.gz RDFYDJZEMSMNLW-KYNGSXCRSA-N 1 3 386.458 4.004 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1CN1CCCCC1 ZINC000182204717 822146152 /nfs/dbraw/zinc/14/61/52/822146152.db2.gz ZJESYOUHXDGVQC-WIYYLYMNSA-N 1 3 385.552 4.228 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261591 822175169 /nfs/dbraw/zinc/17/51/69/822175169.db2.gz QAERRZZPCWGCDD-XUZZJYLKSA-N 1 3 382.523 4.413 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261591 822175175 /nfs/dbraw/zinc/17/51/75/822175175.db2.gz QAERRZZPCWGCDD-XUZZJYLKSA-N 1 3 382.523 4.413 20 0 GIADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267946 822179065 /nfs/dbraw/zinc/17/90/65/822179065.db2.gz ORJDKRTZRTYEAT-AZUAARDMSA-N 1 3 390.474 4.096 20 0 GIADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267946 822179067 /nfs/dbraw/zinc/17/90/67/822179067.db2.gz ORJDKRTZRTYEAT-AZUAARDMSA-N 1 3 390.474 4.096 20 0 GIADHO C[C@H](Nc1cccc(CN2CCSCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182802562 822370034 /nfs/dbraw/zinc/37/00/34/822370034.db2.gz ZIXCJTALYRMPGZ-IBGZPJMESA-N 1 3 399.604 4.349 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000178603391 822395466 /nfs/dbraw/zinc/39/54/66/822395466.db2.gz CTUSOIYDBOGZDU-INIZCTEOSA-N 1 3 394.401 4.128 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)ccc1OC ZINC000183006469 822410103 /nfs/dbraw/zinc/41/01/03/822410103.db2.gz NPLNYOLWHBVMFS-IIBYNOLFSA-N 1 3 376.566 4.157 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1CN1CCCCC1 ZINC000183011109 822410923 /nfs/dbraw/zinc/41/09/23/822410923.db2.gz XMQARUXLAQPRND-JTSKRJEESA-N 1 3 388.577 4.301 20 0 GIADHO Cn1ccnc1[C@H](NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000183274887 822452207 /nfs/dbraw/zinc/45/22/07/822452207.db2.gz WOHXTVHYMWCZQN-HSZRJFAPSA-N 1 3 380.580 4.196 20 0 GIADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997832 822592949 /nfs/dbraw/zinc/59/29/49/822592949.db2.gz YXFWKZKPHGNNCS-OTWHNJEPSA-N 1 3 392.547 4.033 20 0 GIADHO C[C@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997832 822592953 /nfs/dbraw/zinc/59/29/53/822592953.db2.gz YXFWKZKPHGNNCS-OTWHNJEPSA-N 1 3 392.547 4.033 20 0 GIADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997832 822592954 /nfs/dbraw/zinc/59/29/54/822592954.db2.gz YXFWKZKPHGNNCS-OTWHNJEPSA-N 1 3 392.547 4.033 20 0 GIADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000180415771 822677883 /nfs/dbraw/zinc/67/78/83/822677883.db2.gz AQXBOWZHBKQBHA-CQSZACIVSA-N 1 3 396.373 4.019 20 0 GIADHO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000455838564 822734817 /nfs/dbraw/zinc/73/48/17/822734817.db2.gz BUWQOQJTDBLMAP-SSKFGXFMSA-N 1 3 380.536 4.048 20 0 GIADHO Clc1ccc(-c2noc(CCNC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000174373323 822780118 /nfs/dbraw/zinc/78/01/18/822780118.db2.gz SVNLHNRECAQATM-UHFFFAOYSA-N 1 3 396.922 4.187 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cc4ccccc4s3)CC2)CC1 ZINC000569017290 822869992 /nfs/dbraw/zinc/86/99/92/822869992.db2.gz NCALHYGCWRYFGR-QGZVFWFLSA-N 1 3 399.604 4.275 20 0 GIADHO CN1c2ccc(CNCc3ccc(C[NH+]4CCCCCC4)cc3)cc2CCC1=O ZINC000187173269 823020556 /nfs/dbraw/zinc/02/05/56/823020556.db2.gz FJKJMDZBOGEYNR-UHFFFAOYSA-N 1 3 391.559 4.261 20 0 GIADHO CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223546 823558485 /nfs/dbraw/zinc/55/84/85/823558485.db2.gz OQFGGGSBCUSJBX-FQEVSTJZSA-N 1 3 385.596 4.045 20 0 GIADHO CN(Cc1ccc(-c2ncco2)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411427539 823573008 /nfs/dbraw/zinc/57/30/08/823573008.db2.gz PAGYZFHPQRAZJZ-UHFFFAOYSA-N 1 3 380.467 4.224 20 0 GIADHO C[C@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512318 823582855 /nfs/dbraw/zinc/58/28/55/823582855.db2.gz APIIFRVKQLFXCE-LSDHHAIUSA-N 1 3 381.923 4.050 20 0 GIADHO C[C@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512318 823582856 /nfs/dbraw/zinc/58/28/56/823582856.db2.gz APIIFRVKQLFXCE-LSDHHAIUSA-N 1 3 381.923 4.050 20 0 GIADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCc1nc(-c2ccccc2)no1 ZINC000411535139 823585710 /nfs/dbraw/zinc/58/57/10/823585710.db2.gz QPIMNYYCPZDGFM-RTBURBONSA-N 1 3 390.531 4.025 20 0 GIADHO COC(=O)COc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411536466 823585994 /nfs/dbraw/zinc/58/59/94/823585994.db2.gz BNQYRUXENSNDRW-IBGZPJMESA-N 1 3 396.531 4.075 20 0 GIADHO CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328624 823646727 /nfs/dbraw/zinc/64/67/27/823646727.db2.gz CKSMTBIXQYIVIJ-NQIIRXRSSA-N 1 3 383.536 4.125 20 0 GIADHO CC(C)[NH+]1CCN(CCCN2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000191456049 823687266 /nfs/dbraw/zinc/68/72/66/823687266.db2.gz SSKBJTYEVNBKAE-FQEVSTJZSA-N 1 3 394.401 4.002 20 0 GIADHO CC(C)N1CCN(CCC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000191462088 823687719 /nfs/dbraw/zinc/68/77/19/823687719.db2.gz ODZGVDWVIMBGFN-VWLOTQADSA-N 1 3 377.576 4.050 20 0 GIADHO CC(C)N1CCN(CCC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000191462088 823687723 /nfs/dbraw/zinc/68/77/23/823687723.db2.gz ODZGVDWVIMBGFN-VWLOTQADSA-N 1 3 377.576 4.050 20 0 GIADHO CC(C)[NH+]1CCC(N[C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191528653 823695976 /nfs/dbraw/zinc/69/59/76/823695976.db2.gz VDANUGMIGDUEDH-FQEVSTJZSA-N 1 3 395.385 4.379 20 0 GIADHO CCCN1CCC([NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461794418 823696298 /nfs/dbraw/zinc/69/62/98/823696298.db2.gz ARUGKDSZTAPYCS-QFIPXVFZSA-N 1 3 383.605 4.312 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000574581139 823771508 /nfs/dbraw/zinc/77/15/08/823771508.db2.gz BBWFHTZTSIXALF-SFHVURJKSA-N 1 3 397.563 4.149 20 0 GIADHO CCC[NH+]1CCC(N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462037545 823806749 /nfs/dbraw/zinc/80/67/49/823806749.db2.gz IFVVNFWNSUAIDR-JOCHJYFZSA-N 1 3 382.548 4.452 20 0 GIADHO CN1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963808 823827365 /nfs/dbraw/zinc/82/73/65/823827365.db2.gz HMHQZGCAAHZEQE-XUZZJYLKSA-N 1 3 397.632 4.428 20 0 GIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307842 823843221 /nfs/dbraw/zinc/84/32/21/823843221.db2.gz RUHKPYIXYSRTEF-PZJWPPBQSA-N 1 3 380.532 4.063 20 0 GIADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000574977016 823877931 /nfs/dbraw/zinc/87/79/31/823877931.db2.gz WBLLXMZMRLPWCB-UHFFFAOYSA-N 1 3 394.437 4.348 20 0 GIADHO CSCc1cc(F)ccc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167106564 823886394 /nfs/dbraw/zinc/88/63/94/823886394.db2.gz DIBRCQHRKIMKPP-INIZCTEOSA-N 1 3 376.541 4.480 20 0 GIADHO COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1SC ZINC000126723308 823936051 /nfs/dbraw/zinc/93/60/51/823936051.db2.gz OYXKGIAHISRGJJ-GOSISDBHSA-N 1 3 399.604 4.015 20 0 GIADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000575787918 823995953 /nfs/dbraw/zinc/99/59/53/823995953.db2.gz INLQHJRJCGRKTH-CYBMUJFWSA-N 1 3 382.932 4.315 20 0 GIADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854238 824042693 /nfs/dbraw/zinc/04/26/93/824042693.db2.gz USPHTXAZSIQYJN-WCQYABFASA-N 1 3 379.854 4.039 20 0 GIADHO COC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000120933920 823088986 /nfs/dbraw/zinc/08/89/86/823088986.db2.gz QNPMZMGDNPVVCR-IBGZPJMESA-N 1 3 384.417 4.383 20 0 GIADHO COC[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000120933920 823088992 /nfs/dbraw/zinc/08/89/92/823088992.db2.gz QNPMZMGDNPVVCR-IBGZPJMESA-N 1 3 384.417 4.383 20 0 GIADHO C[N@H+](Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000570811509 823090746 /nfs/dbraw/zinc/09/07/46/823090746.db2.gz FSABGQQKMOJFCT-UHFFFAOYSA-N 1 3 392.547 4.376 20 0 GIADHO C[N@@H+](Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000570811509 823090751 /nfs/dbraw/zinc/09/07/51/823090751.db2.gz FSABGQQKMOJFCT-UHFFFAOYSA-N 1 3 392.547 4.376 20 0 GIADHO CCC(CC)[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570939055 823110099 /nfs/dbraw/zinc/11/00/99/823110099.db2.gz CFMLAMKMUWGZIB-XMMPIXPASA-N 1 3 399.623 4.476 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](C(C)(C)C)CC1 ZINC000121090219 823116680 /nfs/dbraw/zinc/11/66/80/823116680.db2.gz QIHDPMFJFOFZPN-CQSZACIVSA-N 1 3 385.474 4.275 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000121106852 823119977 /nfs/dbraw/zinc/11/99/77/823119977.db2.gz ZMFWRQMJPKOHSX-JKSUJKDBSA-N 1 3 385.474 4.134 20 0 GIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H](C)C[NH+]1CCCCC1 ZINC000121106852 823119980 /nfs/dbraw/zinc/11/99/80/823119980.db2.gz ZMFWRQMJPKOHSX-JKSUJKDBSA-N 1 3 385.474 4.134 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000571039772 823124105 /nfs/dbraw/zinc/12/41/05/823124105.db2.gz JTCUZFLLJRBWIR-QHCPKHFHSA-N 1 3 396.575 4.006 20 0 GIADHO C[C@@H]1CC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137467 823139382 /nfs/dbraw/zinc/13/93/82/823139382.db2.gz QKIIVIZGCRMCGN-OZOXKJRCSA-N 1 3 397.588 4.174 20 0 GIADHO C[C@@H]1CC[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137467 823139386 /nfs/dbraw/zinc/13/93/86/823139386.db2.gz QKIIVIZGCRMCGN-OZOXKJRCSA-N 1 3 397.588 4.174 20 0 GIADHO c1c(CN2CCC(C[NH+]3CCCC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459294621 823157625 /nfs/dbraw/zinc/15/76/25/823157625.db2.gz HEIKXFPLOZNFSK-UHFFFAOYSA-N 1 3 393.579 4.368 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccc(C)c3)CC(C)C)CC2)CC1 ZINC000572011962 823269217 /nfs/dbraw/zinc/26/92/17/823269217.db2.gz INFZZIXUAMFGPO-UHFFFAOYSA-N 1 3 399.623 4.176 20 0 GIADHO [NH3+]Cc1ccc(CNCc2ccc(OC(F)(F)F)c(Br)c2)cc1 ZINC000572364130 823327666 /nfs/dbraw/zinc/32/76/66/823327666.db2.gz URNZLCVBQCAGKP-UHFFFAOYSA-N 1 3 389.215 4.096 20 0 GIADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(C)c1OC ZINC000572519095 823353021 /nfs/dbraw/zinc/35/30/21/823353021.db2.gz YRUKJLOSMQXLPI-FRIKZZABSA-N 1 3 380.532 4.297 20 0 GIADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000572822405 823405615 /nfs/dbraw/zinc/40/56/15/823405615.db2.gz QSWNLOAXKGLNFR-UHFFFAOYSA-N 1 3 381.520 4.272 20 0 GIADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398249 823408298 /nfs/dbraw/zinc/40/82/98/823408298.db2.gz VRFGHJCTRYUMRO-LJQANCHMSA-N 1 3 398.856 4.215 20 0 GIADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398249 823408301 /nfs/dbraw/zinc/40/83/01/823408301.db2.gz VRFGHJCTRYUMRO-LJQANCHMSA-N 1 3 398.856 4.215 20 0 GIADHO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000026304071 820080389 /nfs/dbraw/zinc/08/03/89/820080389.db2.gz XBUVVOUKDVQZAK-UHFFFAOYSA-N 1 3 392.547 4.225 20 0 GIADHO C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170684 823459404 /nfs/dbraw/zinc/45/94/04/823459404.db2.gz HRKTWNCUHKIDPL-RBBKRZOGSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170684 823459408 /nfs/dbraw/zinc/45/94/08/823459408.db2.gz HRKTWNCUHKIDPL-RBBKRZOGSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170684 823459413 /nfs/dbraw/zinc/45/94/13/823459413.db2.gz HRKTWNCUHKIDPL-RBBKRZOGSA-N 1 3 389.547 4.220 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC000410356301 823472095 /nfs/dbraw/zinc/47/20/95/823472095.db2.gz BHYISUYSCPTPFU-PCCBWWKXSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC000410356301 823472100 /nfs/dbraw/zinc/47/21/00/823472100.db2.gz BHYISUYSCPTPFU-PCCBWWKXSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)nc21 ZINC000410356301 823472104 /nfs/dbraw/zinc/47/21/04/823472104.db2.gz BHYISUYSCPTPFU-PCCBWWKXSA-N 1 3 375.516 4.179 20 0 GIADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000123204755 823478269 /nfs/dbraw/zinc/47/82/69/823478269.db2.gz ZRASCTXTJDTBOI-UHFFFAOYSA-N 1 3 382.552 4.124 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(SC(F)F)cc1 ZINC000181415888 821814224 /nfs/dbraw/zinc/81/42/24/821814224.db2.gz MDEKSMWPZFHLCD-JVPBZIDWSA-N 1 3 384.536 4.420 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425600 821819997 /nfs/dbraw/zinc/81/99/97/821819997.db2.gz XOMMBZLRLXUYNY-GMBSWORKSA-N 1 3 393.622 4.436 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000181425600 821820006 /nfs/dbraw/zinc/82/00/06/821820006.db2.gz XOMMBZLRLXUYNY-GMBSWORKSA-N 1 3 393.622 4.436 20 0 GIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000182225549 822155623 /nfs/dbraw/zinc/15/56/23/822155623.db2.gz HJOYLKGJFKXUHW-WIYYLYMNSA-N 1 3 386.536 4.109 20 0 GIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000182225549 822155628 /nfs/dbraw/zinc/15/56/28/822155628.db2.gz HJOYLKGJFKXUHW-WIYYLYMNSA-N 1 3 386.536 4.109 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266098 822178016 /nfs/dbraw/zinc/17/80/16/822178016.db2.gz FAGIFOSGXFLFMA-KXBFYZLASA-N 1 3 392.515 4.419 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266098 822178019 /nfs/dbraw/zinc/17/80/19/822178019.db2.gz FAGIFOSGXFLFMA-KXBFYZLASA-N 1 3 392.515 4.419 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000182285365 822186565 /nfs/dbraw/zinc/18/65/65/822186565.db2.gz XBFNZTLRSKVWEQ-VGSWGCGISA-N 1 3 386.511 4.204 20 0 GIADHO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)cc1 ZINC000182286788 822188036 /nfs/dbraw/zinc/18/80/36/822188036.db2.gz BUYWJVSMKBQIDM-FDDCHVKYSA-N 1 3 398.547 4.074 20 0 GIADHO CCCOc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000178307339 822365788 /nfs/dbraw/zinc/36/57/88/822365788.db2.gz RYXJZLUYPAMASG-IBGZPJMESA-N 1 3 382.548 4.283 20 0 GIADHO C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182804304 822370320 /nfs/dbraw/zinc/37/03/20/822370320.db2.gz LGFXGYCTPDNEDD-LJQANCHMSA-N 1 3 399.604 4.349 20 0 GIADHO CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178477901 822383190 /nfs/dbraw/zinc/38/31/90/822383190.db2.gz XLKQOCXDIVCCOM-GOSISDBHSA-N 1 3 383.536 4.072 20 0 GIADHO c1cc(-c2nc(CN3CCC(CCC[NH+]4CCOCC4)CC3)cs2)cs1 ZINC000182951093 822398783 /nfs/dbraw/zinc/39/87/83/822398783.db2.gz OCQOZIWLZRTUFH-UHFFFAOYSA-N 1 3 391.606 4.196 20 0 GIADHO C[C@H](NCc1ccc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178713223 822405129 /nfs/dbraw/zinc/40/51/29/822405129.db2.gz GYPOLESGENOPBD-ZDUSSCGKSA-N 1 3 383.355 4.302 20 0 GIADHO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000183137671 822429327 /nfs/dbraw/zinc/42/93/27/822429327.db2.gz NBJUZUHOLGVOBS-PZUNEJSGSA-N 1 3 391.559 4.078 20 0 GIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179509456 822493450 /nfs/dbraw/zinc/49/34/50/822493450.db2.gz FRTAHBKEFRPGHZ-MRXNPFEDSA-N 1 3 396.560 4.305 20 0 GIADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(SC(F)F)cc1 ZINC000179510644 822493649 /nfs/dbraw/zinc/49/36/49/822493649.db2.gz QRRCFBVNFFWECQ-AWEZNQCLSA-N 1 3 381.492 4.188 20 0 GIADHO COc1ccccc1[C@H](NCc1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000180210593 822640000 /nfs/dbraw/zinc/64/00/00/822640000.db2.gz NYGATGGCMPEQED-HSZRJFAPSA-N 1 3 383.536 4.052 20 0 GIADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455836249 822734314 /nfs/dbraw/zinc/73/43/14/822734314.db2.gz AVAWOKXJQIQUSF-RYGJVYDSSA-N 1 3 384.524 4.079 20 0 GIADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000455899046 822744748 /nfs/dbraw/zinc/74/47/48/822744748.db2.gz FIGMIYFFNQXPHL-DHIUTWEWSA-N 1 3 392.547 4.194 20 0 GIADHO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000569014689 822869969 /nfs/dbraw/zinc/86/99/69/822869969.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 1 3 386.971 4.119 20 0 GIADHO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000569014689 822869973 /nfs/dbraw/zinc/86/99/73/822869973.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 1 3 386.971 4.119 20 0 GIADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569928282 822986889 /nfs/dbraw/zinc/98/68/89/822986889.db2.gz AHBODLRVVJNTRQ-BMFZPTHFSA-N 1 3 394.441 4.138 20 0 GIADHO CC(C)n1cnnc1[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411380358 823567652 /nfs/dbraw/zinc/56/76/52/823567652.db2.gz ANVOVELRQFZMFG-JOCHJYFZSA-N 1 3 381.568 4.225 20 0 GIADHO CC(C)n1cnnc1[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411380359 823567680 /nfs/dbraw/zinc/56/76/80/823567680.db2.gz ANVOVELRQFZMFG-QFIPXVFZSA-N 1 3 381.568 4.225 20 0 GIADHO CC[C@@H](C)[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469073 823578484 /nfs/dbraw/zinc/57/84/84/823578484.db2.gz FMDOTQPCUUNTBI-IERDGZPVSA-N 1 3 379.976 4.006 20 0 GIADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCc1nc(-c2ccccc2)no1 ZINC000411535137 823585789 /nfs/dbraw/zinc/58/57/89/823585789.db2.gz QPIMNYYCPZDGFM-OALUTQOASA-N 1 3 390.531 4.025 20 0 GIADHO COC(=O)COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000411547486 823587346 /nfs/dbraw/zinc/58/73/46/823587346.db2.gz VKTWXYOQKNXGDO-LJQANCHMSA-N 1 3 396.531 4.075 20 0 GIADHO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411706705 823598371 /nfs/dbraw/zinc/59/83/71/823598371.db2.gz YCVMHVXTRGJNKW-PKTZIBPZSA-N 1 3 376.548 4.226 20 0 GIADHO COc1cc2c(cc1C[NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)O[C@H](C)C2 ZINC000062426588 823634988 /nfs/dbraw/zinc/63/49/88/823634988.db2.gz PHNYDKUBISEJBS-UYAOXDASSA-N 1 3 380.532 4.020 20 0 GIADHO Clc1ccc(CN2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000163595153 823726685 /nfs/dbraw/zinc/72/66/85/823726685.db2.gz MRDZNCLCWXHACR-UHFFFAOYSA-N 1 3 375.988 4.301 20 0 GIADHO CC[NH+]1CCC(N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462041571 823808710 /nfs/dbraw/zinc/80/87/10/823808710.db2.gz VMJIYKXDQIEYGJ-JOCHJYFZSA-N 1 3 382.548 4.370 20 0 GIADHO CCN1CCC([NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113588 823832193 /nfs/dbraw/zinc/83/21/93/823832193.db2.gz TXZJOQITIGZSBF-YLJYHZDGSA-N 1 3 383.502 4.162 20 0 GIADHO COc1ccc2c(c1)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCCO2 ZINC000165163060 823837043 /nfs/dbraw/zinc/83/70/43/823837043.db2.gz UBGLTAXIXAAEHC-JOCHJYFZSA-N 1 3 384.520 4.029 20 0 GIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307949 823843544 /nfs/dbraw/zinc/84/35/44/823843544.db2.gz RUHKPYIXYSRTEF-TZIWHRDSSA-N 1 3 380.532 4.063 20 0 GIADHO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126705618 823931679 /nfs/dbraw/zinc/93/16/79/823931679.db2.gz CGYOFEOGPWLCBJ-ZIAGYGMSSA-N 1 3 395.444 4.407 20 0 GIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414292124 823952626 /nfs/dbraw/zinc/95/26/26/823952626.db2.gz AJFPMXGONHQJKN-KRWDZBQOSA-N 1 3 392.465 4.383 20 0 GIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000414311761 823955567 /nfs/dbraw/zinc/95/55/67/823955567.db2.gz VGQYTGZQIHFRKH-KRWDZBQOSA-N 1 3 392.465 4.383 20 0 GIADHO Cc1ccccc1-c1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414749000 824032782 /nfs/dbraw/zinc/03/27/82/824032782.db2.gz PFGNEJACPVOUGI-IBGZPJMESA-N 1 3 399.604 4.131 20 0 GIADHO Cc1ccccc1-c1ccc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414749000 824032786 /nfs/dbraw/zinc/03/27/86/824032786.db2.gz PFGNEJACPVOUGI-IBGZPJMESA-N 1 3 399.604 4.131 20 0 GIADHO Cc1ccccc1-c1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414749001 824032843 /nfs/dbraw/zinc/03/28/43/824032843.db2.gz PFGNEJACPVOUGI-LJQANCHMSA-N 1 3 399.604 4.131 20 0 GIADHO Cc1ccccc1-c1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414749001 824032847 /nfs/dbraw/zinc/03/28/47/824032847.db2.gz PFGNEJACPVOUGI-LJQANCHMSA-N 1 3 399.604 4.131 20 0 GIADHO NC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414807506 824037696 /nfs/dbraw/zinc/03/76/96/824037696.db2.gz RCOPZQITHVLVBX-SFHVURJKSA-N 1 3 378.303 4.073 20 0 GIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000414814441 824038799 /nfs/dbraw/zinc/03/87/99/824038799.db2.gz VPMQFAPCHZCZRN-NSHDSACASA-N 1 3 385.252 4.360 20 0 GIADHO CC1(CNCc2csc(-c3cccc(Br)c3)n2)CC[NH2+]CC1 ZINC000414910853 824049106 /nfs/dbraw/zinc/04/91/06/824049106.db2.gz SUWYLNNPXNCHNO-UHFFFAOYSA-N 1 3 380.355 4.052 20 0 GIADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414916718 824050103 /nfs/dbraw/zinc/05/01/03/824050103.db2.gz QEJLSTYNMNYDSW-SJCJKPOMSA-N 1 3 391.865 4.055 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414916716 824050144 /nfs/dbraw/zinc/05/01/44/824050144.db2.gz QEJLSTYNMNYDSW-PXAZEXFGSA-N 1 3 391.865 4.055 20 0 GIADHO Cc1cc2ccccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)[nH+]1 ZINC001164697608 719895746 /nfs/dbraw/zinc/89/57/46/719895746.db2.gz LXGVTYOIVUJXDF-UHFFFAOYSA-N 1 3 393.556 4.476 20 0 GIADHO C[C@H](NCc1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000120857519 823077933 /nfs/dbraw/zinc/07/79/33/823077933.db2.gz XWEAOSXYZYUNMU-HNNXBMFYSA-N 1 3 377.326 4.240 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175992458 823090637 /nfs/dbraw/zinc/09/06/37/823090637.db2.gz WREQQAOUDSJQHR-LJQANCHMSA-N 1 3 397.563 4.223 20 0 GIADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)CN1CCCCC1 ZINC000121106541 823119743 /nfs/dbraw/zinc/11/97/43/823119743.db2.gz ZMFWRQMJPKOHSX-HZPDHXFCSA-N 1 3 385.474 4.134 20 0 GIADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000121106541 823119744 /nfs/dbraw/zinc/11/97/44/823119744.db2.gz ZMFWRQMJPKOHSX-HZPDHXFCSA-N 1 3 385.474 4.134 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434482 823191622 /nfs/dbraw/zinc/19/16/22/823191622.db2.gz OTESZCITSAXNDO-XQFWAAQXSA-N 1 3 399.604 4.146 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000459434482 823191626 /nfs/dbraw/zinc/19/16/26/823191626.db2.gz OTESZCITSAXNDO-XQFWAAQXSA-N 1 3 399.604 4.146 20 0 GIADHO CN1CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442390 823192715 /nfs/dbraw/zinc/19/27/15/823192715.db2.gz JKMAPBLJWXXAHZ-UTKZUKDTSA-N 1 3 395.513 4.305 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000572132876 823288215 /nfs/dbraw/zinc/28/82/15/823288215.db2.gz QEPRDDVSIVUXPB-GOTSBHOMSA-N 1 3 397.607 4.025 20 0 GIADHO [NH3+]CCCOC1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000572404725 823333187 /nfs/dbraw/zinc/33/31/87/823333187.db2.gz VFYXEZJXBPDZCU-YWEYNIOJSA-N 1 3 380.532 4.109 20 0 GIADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353547 /nfs/dbraw/zinc/35/35/47/823353547.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353551 /nfs/dbraw/zinc/35/35/51/823353551.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 1 3 381.539 4.215 20 0 GIADHO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000060552285 823541575 /nfs/dbraw/zinc/54/15/75/823541575.db2.gz QOLSINNKQWOQCQ-UHFFFAOYSA-N 1 3 395.547 4.255 20 0 GIADHO C[NH+](C)C1CCN(CCNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180954278 821554316 /nfs/dbraw/zinc/55/43/16/821554316.db2.gz WJYKCUVEHDAHGU-UHFFFAOYSA-N 1 3 395.469 4.081 20 0 GIADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180975493 821567238 /nfs/dbraw/zinc/56/72/38/821567238.db2.gz VNPNRQOBYBLSAY-QFIPXVFZSA-N 1 3 399.966 4.407 20 0 GIADHO COCCc1nc(C)c([C@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000181373348 821793709 /nfs/dbraw/zinc/79/37/09/821793709.db2.gz DUOMMRCHOCHPMC-KRWDZBQOSA-N 1 3 387.593 4.477 20 0 GIADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244810 822165785 /nfs/dbraw/zinc/16/57/85/822165785.db2.gz VUBHVLAGSGYZQY-ISKFKSNPSA-N 1 3 394.559 4.264 20 0 GIADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244810 822165793 /nfs/dbraw/zinc/16/57/93/822165793.db2.gz VUBHVLAGSGYZQY-ISKFKSNPSA-N 1 3 394.559 4.264 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000182285406 822186760 /nfs/dbraw/zinc/18/67/60/822186760.db2.gz XBFNZTLRSKVWEQ-VGOFRKELSA-N 1 3 386.511 4.204 20 0 GIADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCS2 ZINC000178255881 822359359 /nfs/dbraw/zinc/35/93/59/822359359.db2.gz IEPFHJSYROWHPR-QGZVFWFLSA-N 1 3 381.383 4.450 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)ccc1OC ZINC000183006435 822410143 /nfs/dbraw/zinc/41/01/43/822410143.db2.gz NPLNYOLWHBVMFS-IERDGZPVSA-N 1 3 376.566 4.157 20 0 GIADHO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(Cl)nc1 ZINC000179121681 822440503 /nfs/dbraw/zinc/44/05/03/822440503.db2.gz XVNVTEXFQYXSRM-CABCVRRESA-N 1 3 376.907 4.038 20 0 GIADHO Cc1cccc(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179388392 822475216 /nfs/dbraw/zinc/47/52/16/822475216.db2.gz WRFMKGUKSGPZLH-HXUWFJFHSA-N 1 3 394.563 4.264 20 0 GIADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391396 822475797 /nfs/dbraw/zinc/47/57/97/822475797.db2.gz SXPXHLFCVQJQDM-GOSISDBHSA-N 1 3 398.526 4.095 20 0 GIADHO Fc1ccc([C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000183739607 822519917 /nfs/dbraw/zinc/51/99/17/822519917.db2.gz ZHPGMWVTAJVWRF-QHCPKHFHSA-N 1 3 376.479 4.211 20 0 GIADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180086729 822612522 /nfs/dbraw/zinc/61/25/22/822612522.db2.gz DFLIUJZPGZJNKL-HSZRJFAPSA-N 1 3 397.538 4.138 20 0 GIADHO OC1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180211749 822640202 /nfs/dbraw/zinc/64/02/02/822640202.db2.gz IUUKVLOJYHYSSS-OAQYLSRUSA-N 1 3 376.903 4.005 20 0 GIADHO OC1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180211765 822640471 /nfs/dbraw/zinc/64/04/71/822640471.db2.gz IUUKVLOJYHYSSS-NRFANRHFSA-N 1 3 376.903 4.005 20 0 GIADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942366 822754396 /nfs/dbraw/zinc/75/43/96/822754396.db2.gz VDEWURGFHZGDIX-ODOSVJCGSA-N 1 3 392.547 4.193 20 0 GIADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942365 822754448 /nfs/dbraw/zinc/75/44/48/822754448.db2.gz VDEWURGFHZGDIX-OAOOKAIFSA-N 1 3 392.547 4.193 20 0 GIADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCc1cccs1 ZINC000174600458 822810457 /nfs/dbraw/zinc/81/04/57/822810457.db2.gz ABSLGOMRRJVSPT-YQQQUEKLSA-N 1 3 386.561 4.441 20 0 GIADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569928285 822986915 /nfs/dbraw/zinc/98/69/15/822986915.db2.gz AHBODLRVVJNTRQ-VNQPRFMTSA-N 1 3 394.441 4.138 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564065 /nfs/dbraw/zinc/56/40/65/823564065.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 1 3 399.604 4.148 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564068 /nfs/dbraw/zinc/56/40/68/823564068.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 1 3 399.604 4.148 20 0 GIADHO COc1ccc(Br)cc1C[NH2+]CCCN(C)Cc1ccccc1 ZINC000061556849 823603619 /nfs/dbraw/zinc/60/36/19/823603619.db2.gz DUTBBOPSPJSCRB-UHFFFAOYSA-N 1 3 377.326 4.069 20 0 GIADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000125196090 823658344 /nfs/dbraw/zinc/65/83/44/823658344.db2.gz NPRKQSRCJLRDTB-RBUKOAKNSA-N 1 3 375.520 4.144 20 0 GIADHO CN(C)Cc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000412555571 823661813 /nfs/dbraw/zinc/66/18/13/823661813.db2.gz BYMCTJIPRJUZTF-UHFFFAOYSA-N 1 3 383.511 4.128 20 0 GIADHO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191457038 823687334 /nfs/dbraw/zinc/68/73/34/823687334.db2.gz PFLQQYVGFOAPQR-UHFFFAOYSA-N 1 3 382.596 4.072 20 0 GIADHO Cc1cc(C)cc([C@@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000574422952 823725851 /nfs/dbraw/zinc/72/58/51/823725851.db2.gz TZLCUUDDGYIRTG-OAQYLSRUSA-N 1 3 393.575 4.043 20 0 GIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000163928530 823761947 /nfs/dbraw/zinc/76/19/47/823761947.db2.gz YXQCGCWJBQFYJA-LJQANCHMSA-N 1 3 393.531 4.480 20 0 GIADHO C[C@@H](CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559124 823766439 /nfs/dbraw/zinc/76/64/39/823766439.db2.gz SMPJHAOYYOCPIY-DHLKQENFSA-N 1 3 377.576 4.072 20 0 GIADHO C[C@@H](CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559124 823766442 /nfs/dbraw/zinc/76/64/42/823766442.db2.gz SMPJHAOYYOCPIY-DHLKQENFSA-N 1 3 377.576 4.072 20 0 GIADHO COc1cc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000164041345 823772572 /nfs/dbraw/zinc/77/25/72/823772572.db2.gz HTUIPHFQGKSJQN-SFHVURJKSA-N 1 3 395.547 4.194 20 0 GIADHO CN1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccccc4Cl)o3)ccn2)CC1 ZINC000126046166 823774376 /nfs/dbraw/zinc/77/43/76/823774376.db2.gz OVDJBNMFLDAWCB-UHFFFAOYSA-N 1 3 396.922 4.037 20 0 GIADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000164442139 823802785 /nfs/dbraw/zinc/80/27/85/823802785.db2.gz HMNCRIGEUVEITC-OAHLLOKOSA-N 1 3 396.373 4.020 20 0 GIADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743938 823816172 /nfs/dbraw/zinc/81/61/72/823816172.db2.gz HAWKVTQBDIIUHC-RCCFBDPRSA-N 1 3 399.362 4.175 20 0 GIADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1OC ZINC000165297221 823842446 /nfs/dbraw/zinc/84/24/46/823842446.db2.gz KXPAZUWKPQIKQG-TZIWHRDSSA-N 1 3 382.548 4.227 20 0 GIADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000414247702 823940130 /nfs/dbraw/zinc/94/01/30/823940130.db2.gz ORXZJYXLBHJEMK-GHTZIAJQSA-N 1 3 390.616 4.249 20 0 GIADHO CSc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC000414306481 823954625 /nfs/dbraw/zinc/95/46/25/823954625.db2.gz OIWYABRJSPKDQV-KRWDZBQOSA-N 1 3 388.552 4.225 20 0 GIADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000170780162 823970226 /nfs/dbraw/zinc/97/02/26/823970226.db2.gz JCAILIOUWYIOQT-HDICACEKSA-N 1 3 385.577 4.131 20 0 GIADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000170780162 823970234 /nfs/dbraw/zinc/97/02/34/823970234.db2.gz JCAILIOUWYIOQT-HDICACEKSA-N 1 3 385.577 4.131 20 0 GIADHO C(=C/C[NH+]1CCC(OC2CCCC2)CC1)\CN1CCC(OC2CCCC2)CC1 ZINC000121134175 823124207 /nfs/dbraw/zinc/12/42/07/823124207.db2.gz BXNJUSFAYGXYRK-AATRIKPKSA-N 1 3 390.612 4.390 20 0 GIADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000187938133 823160963 /nfs/dbraw/zinc/16/09/63/823160963.db2.gz CRIYJSVEXKDCGR-MRXNPFEDSA-N 1 3 381.545 4.044 20 0 GIADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000459381057 823178201 /nfs/dbraw/zinc/17/82/01/823178201.db2.gz CDHIGUNJFMEFEV-FQEVSTJZSA-N 1 3 383.502 4.305 20 0 GIADHO CCc1nnc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459539936 823215648 /nfs/dbraw/zinc/21/56/48/823215648.db2.gz XCXCUNPFIXWDRY-JOCHJYFZSA-N 1 3 395.595 4.034 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459729073 823257467 /nfs/dbraw/zinc/25/74/67/823257467.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 1 3 393.550 4.010 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459729073 823257471 /nfs/dbraw/zinc/25/74/71/823257471.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 1 3 393.550 4.010 20 0 GIADHO CC[C@@H](CN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000572540557 823357624 /nfs/dbraw/zinc/35/76/24/823357624.db2.gz GDXNDQSCKMBSEW-NRFANRHFSA-N 1 3 399.623 4.225 20 0 GIADHO CSC1(CNCc2cc(Br)ccc2Cl)CC[NH+](C)CC1 ZINC000572651899 823375760 /nfs/dbraw/zinc/37/57/60/823375760.db2.gz YPCQCVIMVOUDLG-UHFFFAOYSA-N 1 3 377.779 4.020 20 0 GIADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1 ZINC000177342980 823440508 /nfs/dbraw/zinc/44/05/08/823440508.db2.gz JPUGKOQFSOLBDB-UHFFFAOYSA-N 1 3 383.536 4.030 20 0 GIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100718 823447445 /nfs/dbraw/zinc/44/74/45/823447445.db2.gz IOCNIIKOVVATHO-FGSXEWAUSA-N 1 3 377.532 4.275 20 0 GIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100718 823447446 /nfs/dbraw/zinc/44/74/46/823447446.db2.gz IOCNIIKOVVATHO-FGSXEWAUSA-N 1 3 377.532 4.275 20 0 GIADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475805 823471500 /nfs/dbraw/zinc/47/15/00/823471500.db2.gz YJIACTFZVIZABQ-RDPSFJRHSA-N 1 3 391.559 4.065 20 0 GIADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475805 823471503 /nfs/dbraw/zinc/47/15/03/823471503.db2.gz YJIACTFZVIZABQ-RDPSFJRHSA-N 1 3 391.559 4.065 20 0 GIADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nc3c(cccc3C)o2)CC1 ZINC000410355906 823472186 /nfs/dbraw/zinc/47/21/86/823472186.db2.gz VFNMPCHCGALVEQ-UHFFFAOYSA-N 1 3 392.547 4.001 20 0 GIADHO COc1ccc(CNCc2ccc(C[NH+](C)C)cc2)cc1OCc1cccnc1 ZINC000030545900 820637784 /nfs/dbraw/zinc/63/77/84/820637784.db2.gz IEZHBDBKXBBYLQ-UHFFFAOYSA-N 1 3 391.515 4.021 20 0 GIADHO CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1cccs1 ZINC000180975270 821567461 /nfs/dbraw/zinc/56/74/61/821567461.db2.gz BAJNODIJCAYLOA-OAQYLSRUSA-N 1 3 399.604 4.451 20 0 GIADHO C[C@H](NCc1ccccc1N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181266613 821725079 /nfs/dbraw/zinc/72/50/79/821725079.db2.gz YDVTXWCPFYDSLW-FQEVSTJZSA-N 1 3 381.564 4.468 20 0 GIADHO COCCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000181417291 821814972 /nfs/dbraw/zinc/81/49/72/821814972.db2.gz GGWQRYQEOUVYGC-ZNDGOPKYSA-N 1 3 399.604 4.487 20 0 GIADHO CCc1c2ccccc2oc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181975491 822050275 /nfs/dbraw/zinc/05/02/75/822050275.db2.gz GNLZEKKWIISIBB-KRWDZBQOSA-N 1 3 393.531 4.137 20 0 GIADHO CCCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182236844 822160543 /nfs/dbraw/zinc/16/05/43/822160543.db2.gz MOFGOMSSNPPWNS-AUSIDOKSSA-N 1 3 382.548 4.283 20 0 GIADHO CCCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182236844 822160545 /nfs/dbraw/zinc/16/05/45/822160545.db2.gz MOFGOMSSNPPWNS-AUSIDOKSSA-N 1 3 382.548 4.283 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268296 822179855 /nfs/dbraw/zinc/17/98/55/822179855.db2.gz YJSXLWRNFFAYSV-GMAHTHKFSA-N 1 3 392.543 4.179 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268296 822179862 /nfs/dbraw/zinc/17/98/62/822179862.db2.gz YJSXLWRNFFAYSV-GMAHTHKFSA-N 1 3 392.543 4.179 20 0 GIADHO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)cc1 ZINC000182286750 822187560 /nfs/dbraw/zinc/18/75/60/822187560.db2.gz BUYWJVSMKBQIDM-MBSDFSHPSA-N 1 3 398.547 4.074 20 0 GIADHO COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1CN1CCCCC1 ZINC000182310645 822198447 /nfs/dbraw/zinc/19/84/47/822198447.db2.gz VSPZGUZJXJQZDX-IBGZPJMESA-N 1 3 392.547 4.222 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978097 822266471 /nfs/dbraw/zinc/26/64/71/822266471.db2.gz HEVGGELNRXQNDT-GOSISDBHSA-N 1 3 381.520 4.334 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978097 822266477 /nfs/dbraw/zinc/26/64/77/822266477.db2.gz HEVGGELNRXQNDT-GOSISDBHSA-N 1 3 381.520 4.334 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1CN1CCCCC1 ZINC000182536990 822289009 /nfs/dbraw/zinc/28/90/09/822289009.db2.gz XJVCLEMDGFAPMM-VGSWGCGISA-N 1 3 386.511 4.204 20 0 GIADHO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182922196 822393215 /nfs/dbraw/zinc/39/32/15/822393215.db2.gz CNKDXLCQJJBCTO-UHFFFAOYSA-N 1 3 392.465 4.294 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1CN1CCCCC1 ZINC000183009321 822410632 /nfs/dbraw/zinc/41/06/32/822410632.db2.gz CTHYIOXJHPGRBD-OFNKIYASSA-N 1 3 396.575 4.498 20 0 GIADHO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCCN(C2CCC2)C1 ZINC000183191241 822438724 /nfs/dbraw/zinc/43/87/24/822438724.db2.gz YGBLUOQBJFFECZ-BBFQFKIHSA-N 1 3 381.564 4.062 20 0 GIADHO Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391573 822476162 /nfs/dbraw/zinc/47/61/62/822476162.db2.gz HALNBGJJXAYPMU-HXUWFJFHSA-N 1 3 394.563 4.264 20 0 GIADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000180025109 822599394 /nfs/dbraw/zinc/59/93/94/822599394.db2.gz FKTCOHAVFNICGX-HXUWFJFHSA-N 1 3 389.337 4.167 20 0 GIADHO CN1CCC[N@H+](CCCN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180468109 822687427 /nfs/dbraw/zinc/68/74/27/822687427.db2.gz JVAWAUILCNOYTI-JOCHJYFZSA-N 1 3 389.946 4.186 20 0 GIADHO CN1CCC[N@@H+](CCCN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180468109 822687428 /nfs/dbraw/zinc/68/74/28/822687428.db2.gz JVAWAUILCNOYTI-JOCHJYFZSA-N 1 3 389.946 4.186 20 0 GIADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000175027834 822870624 /nfs/dbraw/zinc/87/06/24/822870624.db2.gz YRQDCQAJBWRLSP-UHFFFAOYSA-N 1 3 391.559 4.019 20 0 GIADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1Cl ZINC000570025789 822998706 /nfs/dbraw/zinc/99/87/06/822998706.db2.gz JYXRBWINZYEJMY-KRWDZBQOSA-N 1 3 388.939 4.026 20 0 GIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977638 823557457 /nfs/dbraw/zinc/55/74/57/823557457.db2.gz CQPVOEOYVVJKHY-LJQANCHMSA-N 1 3 392.547 4.243 20 0 GIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977638 823557459 /nfs/dbraw/zinc/55/74/59/823557459.db2.gz CQPVOEOYVVJKHY-LJQANCHMSA-N 1 3 392.547 4.243 20 0 GIADHO O=C(CC1CCCC1)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411252820 823560537 /nfs/dbraw/zinc/56/05/37/823560537.db2.gz LCZBIHLALBZPFX-UHFFFAOYSA-N 1 3 397.607 4.333 20 0 GIADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411424231 823572780 /nfs/dbraw/zinc/57/27/80/823572780.db2.gz LDYWOPWWGPQKDZ-UHFFFAOYSA-N 1 3 389.515 4.051 20 0 GIADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411424231 823572781 /nfs/dbraw/zinc/57/27/81/823572781.db2.gz LDYWOPWWGPQKDZ-UHFFFAOYSA-N 1 3 389.515 4.051 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000411475568 823579306 /nfs/dbraw/zinc/57/93/06/823579306.db2.gz AQZAMZCJEMTZQB-IBGZPJMESA-N 1 3 375.520 4.104 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2ccnn2)cc1 ZINC000411487626 823580536 /nfs/dbraw/zinc/58/05/36/823580536.db2.gz WGWXDABWHHECOB-LJQANCHMSA-N 1 3 375.520 4.104 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518421 823583823 /nfs/dbraw/zinc/58/38/23/823583823.db2.gz PGROBFCFGCTJJD-JKSUJKDBSA-N 1 3 397.485 4.277 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518421 823583824 /nfs/dbraw/zinc/58/38/24/823583824.db2.gz PGROBFCFGCTJJD-JKSUJKDBSA-N 1 3 397.485 4.277 20 0 GIADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC(c2noc(C3CC3)n2)CC1 ZINC000411533281 823585546 /nfs/dbraw/zinc/58/55/46/823585546.db2.gz ANYPYGUIARQJHD-UHFFFAOYSA-N 1 3 380.536 4.313 20 0 GIADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CC1 ZINC000411783507 823604400 /nfs/dbraw/zinc/60/44/00/823604400.db2.gz IZTSYYXGDQDRRC-HSZRJFAPSA-N 1 3 397.607 4.257 20 0 GIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000191070218 823644993 /nfs/dbraw/zinc/64/49/93/823644993.db2.gz VODQUEROUZREPL-OAQYLSRUSA-N 1 3 392.465 4.260 20 0 GIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000191070218 823644995 /nfs/dbraw/zinc/64/49/95/823644995.db2.gz VODQUEROUZREPL-OAQYLSRUSA-N 1 3 392.465 4.260 20 0 GIADHO CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)cccc21 ZINC000412309450 823645254 /nfs/dbraw/zinc/64/52/54/823645254.db2.gz SCUPCDQWKIRTQN-JOCHJYFZSA-N 1 3 393.531 4.310 20 0 GIADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)cc1F ZINC000412414774 823654205 /nfs/dbraw/zinc/65/42/05/823654205.db2.gz IHHIALORQHBROK-UHFFFAOYSA-N 1 3 399.510 4.004 20 0 GIADHO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnn1C(C)C ZINC000191268627 823665615 /nfs/dbraw/zinc/66/56/15/823665615.db2.gz KKLKIMUHFDFHER-IRXDYDNUSA-N 1 3 387.547 4.075 20 0 GIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000163762624 823745794 /nfs/dbraw/zinc/74/57/94/823745794.db2.gz VCAFAQLNPPZYEN-SFHVURJKSA-N 1 3 381.520 4.336 20 0 GIADHO COc1ccc([C@@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000163970798 823767420 /nfs/dbraw/zinc/76/74/20/823767420.db2.gz QNASUROEAHPCDM-LJQANCHMSA-N 1 3 398.547 4.036 20 0 GIADHO COc1ccc([C@@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000163970798 823767427 /nfs/dbraw/zinc/76/74/27/823767427.db2.gz QNASUROEAHPCDM-LJQANCHMSA-N 1 3 398.547 4.036 20 0 GIADHO CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000461982759 823782357 /nfs/dbraw/zinc/78/23/57/823782357.db2.gz HMLTXCWMSJNUAB-XMMPIXPASA-N 1 3 393.575 4.265 20 0 GIADHO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000126711149 823933072 /nfs/dbraw/zinc/93/30/72/823933072.db2.gz QKTLGGMIQDMRNH-GJZGRUSLSA-N 1 3 377.454 4.268 20 0 GIADHO CSc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC000414306485 823954700 /nfs/dbraw/zinc/95/47/00/823954700.db2.gz OIWYABRJSPKDQV-QGZVFWFLSA-N 1 3 388.552 4.225 20 0 GIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000414311762 823955912 /nfs/dbraw/zinc/95/59/12/823955912.db2.gz VGQYTGZQIHFRKH-QGZVFWFLSA-N 1 3 392.465 4.383 20 0 GIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846789 823965485 /nfs/dbraw/zinc/96/54/85/823965485.db2.gz WTUDDAQIRSQSSA-LEHBWIKQSA-N 1 3 376.591 4.048 20 0 GIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846789 823965491 /nfs/dbraw/zinc/96/54/91/823965491.db2.gz WTUDDAQIRSQSSA-LEHBWIKQSA-N 1 3 376.591 4.048 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)CC2)CC1 ZINC000570825597 823092365 /nfs/dbraw/zinc/09/23/65/823092365.db2.gz VEELZWQLTKTBNB-DEOSSOPVSA-N 1 3 397.607 4.163 20 0 GIADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000571136774 823139320 /nfs/dbraw/zinc/13/93/20/823139320.db2.gz DOTBUAPCPMBSEC-LZYPDUGYSA-N 1 3 388.555 4.243 20 0 GIADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000571136775 823139368 /nfs/dbraw/zinc/13/93/68/823139368.db2.gz DOTBUAPCPMBSEC-XZZVZQAVSA-N 1 3 388.555 4.243 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000572132875 823288323 /nfs/dbraw/zinc/28/83/23/823288323.db2.gz QEPRDDVSIVUXPB-DHIUTWEWSA-N 1 3 397.607 4.025 20 0 GIADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023740869 818977812 /nfs/dbraw/zinc/97/78/12/818977812.db2.gz KFTKMNKBVIJHIG-XMMPIXPASA-N 1 3 391.559 4.239 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000123007024 823447298 /nfs/dbraw/zinc/44/72/98/823447298.db2.gz DUSLFJRDHSSCGJ-GOSISDBHSA-N 1 3 392.547 4.417 20 0 GIADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000177419179 823458317 /nfs/dbraw/zinc/45/83/17/823458317.db2.gz QWNCNESOVKVPSA-RTBURBONSA-N 1 3 394.563 4.026 20 0 GIADHO C[NH+](C)Cc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000030631263 820654411 /nfs/dbraw/zinc/65/44/11/820654411.db2.gz VKPJNHDMMCKXMK-UHFFFAOYSA-N 1 3 397.526 4.286 20 0 GIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)o1 ZINC000030907099 820706294 /nfs/dbraw/zinc/70/62/94/820706294.db2.gz CJZRJZKYMVJNPC-GOSISDBHSA-N 1 3 376.504 4.015 20 0 GIADHO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000030907155 820706708 /nfs/dbraw/zinc/70/67/08/820706708.db2.gz ARWSCLQDWVQIKK-LJQANCHMSA-N 1 3 392.572 4.234 20 0 GIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008091 823524930 /nfs/dbraw/zinc/52/49/30/823524930.db2.gz XOIOQFFAFMQCEZ-DENIHFKCSA-N 1 3 383.536 4.101 20 0 GIADHO CC[NH+](CC)CCCC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000180755420 821436233 /nfs/dbraw/zinc/43/62/33/821436233.db2.gz LWVXKRMZBFVLLW-UHFFFAOYSA-N 1 3 399.579 4.469 20 0 GIADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3nc4c(s3)CCCC4)cc2)CC1 ZINC000181204610 821695691 /nfs/dbraw/zinc/69/56/91/821695691.db2.gz GTUBIKZHTRZVQD-GOSISDBHSA-N 1 3 398.620 4.010 20 0 GIADHO COCCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000181417311 821814840 /nfs/dbraw/zinc/81/48/40/821814840.db2.gz GGWQRYQEOUVYGC-BRIRTLKKSA-N 1 3 399.604 4.487 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]CCCn2nc(C)cc2C)cc1CN1CCCCC1 ZINC000182220608 822153297 /nfs/dbraw/zinc/15/32/97/822153297.db2.gz RMBCLZXLFCXVMW-HXUWFJFHSA-N 1 3 384.568 4.235 20 0 GIADHO CCCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182236864 822160311 /nfs/dbraw/zinc/16/03/11/822160311.db2.gz MOFGOMSSNPPWNS-WMZHIEFXSA-N 1 3 382.548 4.283 20 0 GIADHO CCCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182236864 822160316 /nfs/dbraw/zinc/16/03/16/822160316.db2.gz MOFGOMSSNPPWNS-WMZHIEFXSA-N 1 3 382.548 4.283 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238970 822161886 /nfs/dbraw/zinc/16/18/86/822161886.db2.gz OYAPLSBAMUZKGM-OXQOHEQNSA-N 1 3 381.545 4.104 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238970 822161894 /nfs/dbraw/zinc/16/18/94/822161894.db2.gz OYAPLSBAMUZKGM-OXQOHEQNSA-N 1 3 381.545 4.104 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248641 822167365 /nfs/dbraw/zinc/16/73/65/822167365.db2.gz MQDYODXHAQGREY-HNAYVOBHSA-N 1 3 376.903 4.287 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248641 822167372 /nfs/dbraw/zinc/16/73/72/822167372.db2.gz MQDYODXHAQGREY-HNAYVOBHSA-N 1 3 376.903 4.287 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(NC(C)=O)cc2)ccc1OC ZINC000182259435 822173174 /nfs/dbraw/zinc/17/31/74/822173174.db2.gz QCWFINKPEKUCGM-QGZVFWFLSA-N 1 3 383.536 4.346 20 0 GIADHO COc1ccccc1[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263763 822176838 /nfs/dbraw/zinc/17/68/38/822176838.db2.gz DYKQASOVTFYCAH-WIOPSUGQSA-N 1 3 394.559 4.283 20 0 GIADHO COc1ccccc1[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263763 822176844 /nfs/dbraw/zinc/17/68/44/822176844.db2.gz DYKQASOVTFYCAH-WIOPSUGQSA-N 1 3 394.559 4.283 20 0 GIADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267923 822179030 /nfs/dbraw/zinc/17/90/30/822179030.db2.gz ORJDKRTZRTYEAT-ICSRJNTNSA-N 1 3 390.474 4.096 20 0 GIADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267923 822179034 /nfs/dbraw/zinc/17/90/34/822179034.db2.gz ORJDKRTZRTYEAT-ICSRJNTNSA-N 1 3 390.474 4.096 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000182437591 822242750 /nfs/dbraw/zinc/24/27/50/822242750.db2.gz UJMAYYCRVGGTRA-IBGZPJMESA-N 1 3 396.579 4.252 20 0 GIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000182437571 822242996 /nfs/dbraw/zinc/24/29/96/822242996.db2.gz UJMAYYCRVGGTRA-LJQANCHMSA-N 1 3 396.579 4.252 20 0 GIADHO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1 ZINC000182944083 822397625 /nfs/dbraw/zinc/39/76/25/822397625.db2.gz UYNVOQPOZTZMEC-FDDCHVKYSA-N 1 3 398.547 4.074 20 0 GIADHO Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179392403 822476073 /nfs/dbraw/zinc/47/60/73/822476073.db2.gz FWAUYRSMKBMEAV-FQEVSTJZSA-N 1 3 394.563 4.264 20 0 GIADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756205 822544281 /nfs/dbraw/zinc/54/42/81/822544281.db2.gz UWAFQTMVWXBYJP-YKSBVNFPSA-N 1 3 378.564 4.390 20 0 GIADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183953496 822553231 /nfs/dbraw/zinc/55/32/31/822553231.db2.gz PCZWSQRVGWZTFG-SFHVURJKSA-N 1 3 392.609 4.176 20 0 GIADHO Cc1cc([C@@H]([NH2+]C[C@@H](C)N2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180464342 822686873 /nfs/dbraw/zinc/68/68/73/822686873.db2.gz CAHRULRILCBTKC-VGOFRKELSA-N 1 3 389.946 4.102 20 0 GIADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCN1Cc1ccccc1 ZINC000455835286 822733977 /nfs/dbraw/zinc/73/39/77/822733977.db2.gz ACFMCGUMDHSOIZ-MQNAVGNWSA-N 1 3 392.547 4.020 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC2)CC1 ZINC000569017939 822870287 /nfs/dbraw/zinc/87/02/87/822870287.db2.gz YLOANGOGKQIVFM-OAQYLSRUSA-N 1 3 379.633 4.150 20 0 GIADHO CC1(C)OCc2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372441 822883635 /nfs/dbraw/zinc/88/36/35/822883635.db2.gz SHRDBEDQHUAWEC-GOSISDBHSA-N 1 3 386.561 4.395 20 0 GIADHO CC1(C)OCc2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000186372441 822883639 /nfs/dbraw/zinc/88/36/39/822883639.db2.gz SHRDBEDQHUAWEC-GOSISDBHSA-N 1 3 386.561 4.395 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518418 823583725 /nfs/dbraw/zinc/58/37/25/823583725.db2.gz PGROBFCFGCTJJD-CVEARBPZSA-N 1 3 397.485 4.277 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518418 823583730 /nfs/dbraw/zinc/58/37/30/823583730.db2.gz PGROBFCFGCTJJD-CVEARBPZSA-N 1 3 397.485 4.277 20 0 GIADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116330 823627642 /nfs/dbraw/zinc/62/76/42/823627642.db2.gz KHSYJXWFDXJKCF-JTHBVZDNSA-N 1 3 397.607 4.399 20 0 GIADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116330 823627644 /nfs/dbraw/zinc/62/76/44/823627644.db2.gz KHSYJXWFDXJKCF-JTHBVZDNSA-N 1 3 397.607 4.399 20 0 GIADHO CC[C@H](C)N[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328625 823646773 /nfs/dbraw/zinc/64/67/73/823646773.db2.gz CKSMTBIXQYIVIJ-RXVVDRJESA-N 1 3 383.536 4.125 20 0 GIADHO C[NH+](C)CCC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000163454102 823711283 /nfs/dbraw/zinc/71/12/83/823711283.db2.gz RRMDVEORSIFZLE-UHFFFAOYSA-N 1 3 376.342 4.161 20 0 GIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000163540226 823719286 /nfs/dbraw/zinc/71/92/86/823719286.db2.gz XDSCQHGDULCJKB-SFHVURJKSA-N 1 3 381.520 4.336 20 0 GIADHO CCCCCCOc1cccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000126029731 823769858 /nfs/dbraw/zinc/76/98/58/823769858.db2.gz AYNQISQVCWMFCI-UHFFFAOYSA-N 1 3 387.612 4.294 20 0 GIADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000413442270 823778845 /nfs/dbraw/zinc/77/88/45/823778845.db2.gz QEOOPQZXJFLSSS-UHFFFAOYSA-N 1 3 395.547 4.002 20 0 GIADHO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1OC ZINC000165297110 823842803 /nfs/dbraw/zinc/84/28/03/823842803.db2.gz KXPAZUWKPQIKQG-FPOVZHCZSA-N 1 3 382.548 4.227 20 0 GIADHO COCc1cc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1OC ZINC000165324864 823843976 /nfs/dbraw/zinc/84/39/76/823843976.db2.gz ZNQFBVCIPIZPSW-PZJWPPBQSA-N 1 3 382.548 4.057 20 0 GIADHO OC1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000414310407 823955309 /nfs/dbraw/zinc/95/53/09/823955309.db2.gz SYWACNRTLWEDHM-JOCHJYFZSA-N 1 3 392.543 4.050 20 0 GIADHO OCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000570592686 823059226 /nfs/dbraw/zinc/05/92/26/823059226.db2.gz GJTJRNOGCUZGPZ-FCJDFRRUSA-N 1 3 384.951 4.264 20 0 GIADHO c1cc2cccc(CNC[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616327 823062783 /nfs/dbraw/zinc/06/27/83/823062783.db2.gz CDBUWZUTHYOXGL-QHCPKHFHSA-N 1 3 389.543 4.186 20 0 GIADHO c1cc2cccc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616327 823062788 /nfs/dbraw/zinc/06/27/88/823062788.db2.gz CDBUWZUTHYOXGL-QHCPKHFHSA-N 1 3 389.543 4.186 20 0 GIADHO c1cc2cccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616327 823062793 /nfs/dbraw/zinc/06/27/93/823062793.db2.gz CDBUWZUTHYOXGL-QHCPKHFHSA-N 1 3 389.543 4.186 20 0 GIADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849073 823095391 /nfs/dbraw/zinc/09/53/91/823095391.db2.gz SIALWAIVVQDIGL-DEOSSOPVSA-N 1 3 396.575 4.240 20 0 GIADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849073 823095397 /nfs/dbraw/zinc/09/53/97/823095397.db2.gz SIALWAIVVQDIGL-DEOSSOPVSA-N 1 3 396.575 4.240 20 0 GIADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)CN1CCCCC1 ZINC000121106390 823119747 /nfs/dbraw/zinc/11/97/47/823119747.db2.gz ZMFWRQMJPKOHSX-CVEARBPZSA-N 1 3 385.474 4.134 20 0 GIADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000121106390 823119748 /nfs/dbraw/zinc/11/97/48/823119748.db2.gz ZMFWRQMJPKOHSX-CVEARBPZSA-N 1 3 385.474 4.134 20 0 GIADHO COc1ccc2c(c1)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CCCS2 ZINC000187789518 823133567 /nfs/dbraw/zinc/13/35/67/823133567.db2.gz NRPMMQLDCVDSAX-NRFANRHFSA-N 1 3 386.561 4.352 20 0 GIADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225793 823142195 /nfs/dbraw/zinc/14/21/95/823142195.db2.gz TZNCJEDZZWGSQP-XXBNENTESA-N 1 3 394.563 4.265 20 0 GIADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225793 823142199 /nfs/dbraw/zinc/14/21/99/823142199.db2.gz TZNCJEDZZWGSQP-XXBNENTESA-N 1 3 394.563 4.265 20 0 GIADHO CC[NH+](CC)Cc1ccc(CNCc2ccccc2N2CCO[C@@H](C)C2)cc1 ZINC000459382223 823178508 /nfs/dbraw/zinc/17/85/08/823178508.db2.gz SNAIXVQULDDYGY-FQEVSTJZSA-N 1 3 381.564 4.043 20 0 GIADHO C[N@H+](CCOc1cccc(CNCc2ccc(C3CC3)cc2)c1)C1CCOCC1 ZINC000459403773 823185112 /nfs/dbraw/zinc/18/51/12/823185112.db2.gz LQEVWFFLHHEPCM-UHFFFAOYSA-N 1 3 394.559 4.343 20 0 GIADHO C[N@@H+](CCOc1cccc(CNCc2ccc(C3CC3)cc2)c1)C1CCOCC1 ZINC000459403773 823185117 /nfs/dbraw/zinc/18/51/17/823185117.db2.gz LQEVWFFLHHEPCM-UHFFFAOYSA-N 1 3 394.559 4.343 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434480 823191583 /nfs/dbraw/zinc/19/15/83/823191583.db2.gz OTESZCITSAXNDO-QMHWCDLVSA-N 1 3 399.604 4.146 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000459434480 823191587 /nfs/dbraw/zinc/19/15/87/823191587.db2.gz OTESZCITSAXNDO-QMHWCDLVSA-N 1 3 399.604 4.146 20 0 GIADHO Cc1c(F)cccc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000572356833 823326808 /nfs/dbraw/zinc/32/68/08/823326808.db2.gz XWOYTDJOOYNROM-SEJPIABJSA-N 1 3 395.522 4.248 20 0 GIADHO Cc1c(F)cccc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000572356833 823326815 /nfs/dbraw/zinc/32/68/15/823326815.db2.gz XWOYTDJOOYNROM-SEJPIABJSA-N 1 3 395.522 4.248 20 0 GIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100720 823447428 /nfs/dbraw/zinc/44/74/28/823447428.db2.gz IOCNIIKOVVATHO-NPPFBWRTSA-N 1 3 377.532 4.275 20 0 GIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100720 823447430 /nfs/dbraw/zinc/44/74/30/823447430.db2.gz IOCNIIKOVVATHO-NPPFBWRTSA-N 1 3 377.532 4.275 20 0 GIADHO COc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1OCc1cccnc1 ZINC000030631245 820654506 /nfs/dbraw/zinc/65/45/06/820654506.db2.gz LBUCWYCFCISTOR-UHFFFAOYSA-N 1 3 391.515 4.021 20 0 GIADHO Fc1ccc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC000030913892 820707613 /nfs/dbraw/zinc/70/76/13/820707613.db2.gz FKTNZNUZWHFRTM-UHFFFAOYSA-N 1 3 389.518 4.438 20 0 GIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(I)cc1 ZINC000037786429 821093783 /nfs/dbraw/zinc/09/37/83/821093783.db2.gz ZIHVZODNEZDFTD-ZDUSSCGKSA-N 1 3 386.321 4.205 20 0 GIADHO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000042229102 821288449 /nfs/dbraw/zinc/28/84/49/821288449.db2.gz MIWNFUVDBNKHBQ-KRWDZBQOSA-N 1 3 378.545 4.175 20 0 GIADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180976749 821568956 /nfs/dbraw/zinc/56/89/56/821568956.db2.gz WIIAWUNKMNJDOT-WMZHIEFXSA-N 1 3 391.559 4.159 20 0 GIADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3nc4c(s3)CCCC4)cc2)CC1 ZINC000181204595 821695792 /nfs/dbraw/zinc/69/57/92/821695792.db2.gz GTUBIKZHTRZVQD-SFHVURJKSA-N 1 3 398.620 4.010 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259264 822172847 /nfs/dbraw/zinc/17/28/47/822172847.db2.gz SBKBWHMTQCJFKJ-OXJNMPFZSA-N 1 3 391.342 4.337 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259264 822172853 /nfs/dbraw/zinc/17/28/53/822172853.db2.gz SBKBWHMTQCJFKJ-OXJNMPFZSA-N 1 3 391.342 4.337 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(N3CCCC3)nc2)ccc1OC ZINC000182344667 822209046 /nfs/dbraw/zinc/20/90/46/822209046.db2.gz IGNXDYYEGOHCAX-LJQANCHMSA-N 1 3 396.579 4.383 20 0 GIADHO C[C@H](NCc1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178162354 822337583 /nfs/dbraw/zinc/33/75/83/822337583.db2.gz ACFJBSYJFGQGJS-HNNXBMFYSA-N 1 3 377.326 4.240 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000178603402 822395579 /nfs/dbraw/zinc/39/55/79/822395579.db2.gz CTUSOIYDBOGZDU-MRXNPFEDSA-N 1 3 394.401 4.128 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)ccc1OC ZINC000183011046 822410841 /nfs/dbraw/zinc/41/08/41/822410841.db2.gz TVUIKSWMRYTVOZ-KKSFZXQISA-N 1 3 376.566 4.157 20 0 GIADHO COC1CCC([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 ZINC000183134595 822428881 /nfs/dbraw/zinc/42/88/81/822428881.db2.gz OXIDFSXDLDQDRW-UHFFFAOYSA-N 1 3 393.575 4.056 20 0 GIADHO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000046007999 822433974 /nfs/dbraw/zinc/43/39/74/822433974.db2.gz FXFOMGUHFQSKKV-UHFFFAOYSA-N 1 3 394.563 4.302 20 0 GIADHO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000183191224 822438705 /nfs/dbraw/zinc/43/87/05/822438705.db2.gz YGBLUOQBJFFECZ-BFWSRPDNSA-N 1 3 381.564 4.062 20 0 GIADHO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(Cl)nc1 ZINC000179121697 822440537 /nfs/dbraw/zinc/44/05/37/822440537.db2.gz XVNVTEXFQYXSRM-HUUCEWRRSA-N 1 3 376.907 4.038 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]CC2(SC)CCOCC2)cc1CN1CCCCC1 ZINC000183304374 822456084 /nfs/dbraw/zinc/45/60/84/822456084.db2.gz APZPLGCVGWVDFB-GOSISDBHSA-N 1 3 392.609 4.244 20 0 GIADHO CN1CC[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179508460 822493229 /nfs/dbraw/zinc/49/32/29/822493229.db2.gz NNYGNIWHRMVCSO-OXJNMPFZSA-N 1 3 381.967 4.324 20 0 GIADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180086749 822612508 /nfs/dbraw/zinc/61/25/08/822612508.db2.gz DFLIUJZPGZJNKL-QHCPKHFHSA-N 1 3 397.538 4.138 20 0 GIADHO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000050025933 822714650 /nfs/dbraw/zinc/71/46/50/822714650.db2.gz BJMJWCCYAMUTTM-UHFFFAOYSA-N 1 3 379.548 4.054 20 0 GIADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784359 /nfs/dbraw/zinc/78/43/59/822784359.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 1 3 390.474 4.251 20 0 GIADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784362 /nfs/dbraw/zinc/78/43/62/822784362.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 1 3 390.474 4.251 20 0 GIADHO C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174400411 822784625 /nfs/dbraw/zinc/78/46/25/822784625.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 1 3 392.465 4.193 20 0 GIADHO C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174400411 822784627 /nfs/dbraw/zinc/78/46/27/822784627.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 1 3 392.465 4.193 20 0 GIADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000569175163 822888787 /nfs/dbraw/zinc/88/87/87/822888787.db2.gz DKFYRLAFSYRFIY-QFIPXVFZSA-N 1 3 394.563 4.172 20 0 GIADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569175163 822888791 /nfs/dbraw/zinc/88/87/91/822888791.db2.gz DKFYRLAFSYRFIY-QFIPXVFZSA-N 1 3 394.563 4.172 20 0 GIADHO Cc1ccccc1[C@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)C1CCC(C)CC1 ZINC000569687288 822955489 /nfs/dbraw/zinc/95/54/89/822955489.db2.gz YPJLXSKTKKBUHP-CWZMJNCASA-N 1 3 381.568 4.237 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3C)CC2)CC1 ZINC000570462798 823040986 /nfs/dbraw/zinc/04/09/86/823040986.db2.gz WSDUPFQHVVMAES-UHFFFAOYSA-N 1 3 397.485 4.149 20 0 GIADHO c1ccn2c(c1)nnc2C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411265107 823561125 /nfs/dbraw/zinc/56/11/25/823561125.db2.gz NXVJXYYROFZCKZ-UHFFFAOYSA-N 1 3 389.547 4.095 20 0 GIADHO O=C(NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)C1CCCCC1 ZINC000411356721 823566111 /nfs/dbraw/zinc/56/61/11/823566111.db2.gz RJVMVBAPEZCYAC-UHFFFAOYSA-N 1 3 397.607 4.333 20 0 GIADHO C[C@@H]1C[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000411423727 823572499 /nfs/dbraw/zinc/57/24/99/823572499.db2.gz YLQZAIMASBEDDV-VEXUSMLFSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H]1C[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000411423727 823572500 /nfs/dbraw/zinc/57/25/00/823572500.db2.gz YLQZAIMASBEDDV-VEXUSMLFSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411492900 823581162 /nfs/dbraw/zinc/58/11/62/823581162.db2.gz DOJRGFCOCQNSDJ-TXTKFYIRSA-N 1 3 383.580 4.150 20 0 GIADHO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412126130 823628165 /nfs/dbraw/zinc/62/81/65/823628165.db2.gz QOYWIZABFVMPDB-UHFFFAOYSA-N 1 3 385.596 4.257 20 0 GIADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412126130 823628168 /nfs/dbraw/zinc/62/81/68/823628168.db2.gz QOYWIZABFVMPDB-UHFFFAOYSA-N 1 3 385.596 4.257 20 0 GIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000190948630 823629068 /nfs/dbraw/zinc/62/90/68/823629068.db2.gz IFHWRNZURGHBJM-UHFFFAOYSA-N 1 3 392.465 4.260 20 0 GIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500206 823691839 /nfs/dbraw/zinc/69/18/39/823691839.db2.gz SWQXYUVCBHELSH-OXQOHEQNSA-N 1 3 395.385 4.238 20 0 GIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500206 823691840 /nfs/dbraw/zinc/69/18/40/823691840.db2.gz SWQXYUVCBHELSH-OXQOHEQNSA-N 1 3 395.385 4.238 20 0 GIADHO CCCN1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500206 823691843 /nfs/dbraw/zinc/69/18/43/823691843.db2.gz SWQXYUVCBHELSH-OXQOHEQNSA-N 1 3 395.385 4.238 20 0 GIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500222 823691852 /nfs/dbraw/zinc/69/18/52/823691852.db2.gz SWQXYUVCBHELSH-OXJNMPFZSA-N 1 3 395.385 4.238 20 0 GIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500222 823691855 /nfs/dbraw/zinc/69/18/55/823691855.db2.gz SWQXYUVCBHELSH-OXJNMPFZSA-N 1 3 395.385 4.238 20 0 GIADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500222 823691858 /nfs/dbraw/zinc/69/18/58/823691858.db2.gz SWQXYUVCBHELSH-OXJNMPFZSA-N 1 3 395.385 4.238 20 0 GIADHO CCN1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000063917606 823711370 /nfs/dbraw/zinc/71/13/70/823711370.db2.gz RNSLDVKSEGBUKM-LJQANCHMSA-N 1 3 378.520 4.262 20 0 GIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000163546821 823720121 /nfs/dbraw/zinc/72/01/21/823720121.db2.gz JHPZNMSDOXIUNS-GOSISDBHSA-N 1 3 381.520 4.336 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000126488538 823881816 /nfs/dbraw/zinc/88/18/16/823881816.db2.gz PPAZBZCLVYZLHV-FQEVSTJZSA-N 1 3 389.547 4.350 20 0 GIADHO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126705153 823931485 /nfs/dbraw/zinc/93/14/85/823931485.db2.gz CGYOFEOGPWLCBJ-KGLIPLIRSA-N 1 3 395.444 4.407 20 0 GIADHO CCOc1ccccc1[C@@H](C)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126750168 823941390 /nfs/dbraw/zinc/94/13/90/823941390.db2.gz QNZRBTQPZAJYJB-QZTJIDSGSA-N 1 3 385.527 4.388 20 0 GIADHO COc1cccc2cc([C@@H](C)[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)oc21 ZINC000414314420 823956349 /nfs/dbraw/zinc/95/63/49/823956349.db2.gz ZUJQBYASQSGRNQ-GOSISDBHSA-N 1 3 394.515 4.119 20 0 GIADHO Cc1cc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)[nH+]1 ZINC001164908908 721710446 /nfs/dbraw/zinc/71/04/46/721710446.db2.gz ZKXGPYDASDPYLX-OAQYLSRUSA-N 1 3 397.473 4.004 20 0 GIADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124496 /nfs/dbraw/zinc/12/44/96/823124496.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 1 3 381.539 4.215 20 0 GIADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124498 /nfs/dbraw/zinc/12/44/98/823124498.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 1 3 381.539 4.215 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc1 ZINC000571081420 823129096 /nfs/dbraw/zinc/12/90/96/823129096.db2.gz RZUDQROQWKGAIZ-JOCHJYFZSA-N 1 3 399.604 4.283 20 0 GIADHO C[C@@H]1CC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137466 823139528 /nfs/dbraw/zinc/13/95/28/823139528.db2.gz QKIIVIZGCRMCGN-LKUPVBHCSA-N 1 3 397.588 4.174 20 0 GIADHO C[C@@H]1CC[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137466 823139532 /nfs/dbraw/zinc/13/95/32/823139532.db2.gz QKIIVIZGCRMCGN-LKUPVBHCSA-N 1 3 397.588 4.174 20 0 GIADHO Cc1ccc(CN2CCSCC2)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459359936 823171345 /nfs/dbraw/zinc/17/13/45/823171345.db2.gz UTTDEHVPMAIOIU-UHFFFAOYSA-N 1 3 382.577 4.020 20 0 GIADHO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571466688 823187144 /nfs/dbraw/zinc/18/71/44/823187144.db2.gz DKKBVRCDFBBLKN-IFMALSPDSA-N 1 3 382.548 4.119 20 0 GIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121655538 823223831 /nfs/dbraw/zinc/22/38/31/823223831.db2.gz DQJVCHNAZFWOCX-HXUWFJFHSA-N 1 3 389.547 4.494 20 0 GIADHO O=c1cc(C[N@@H+]2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)occ1O ZINC000571882512 823249442 /nfs/dbraw/zinc/24/94/42/823249442.db2.gz WARVRWPQHROIEJ-QFIPXVFZSA-N 1 3 396.531 4.002 20 0 GIADHO O=c1cc(C[N@H+]2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)occ1O ZINC000571882512 823249443 /nfs/dbraw/zinc/24/94/43/823249443.db2.gz WARVRWPQHROIEJ-QFIPXVFZSA-N 1 3 396.531 4.002 20 0 GIADHO COCCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000572186074 823296699 /nfs/dbraw/zinc/29/66/99/823296699.db2.gz LFRVGKIFSITSCB-JOZNFPNDSA-N 1 3 394.559 4.387 20 0 GIADHO [NH3+]CCCOC1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000572404724 823333305 /nfs/dbraw/zinc/33/33/05/823333305.db2.gz VFYXEZJXBPDZCU-XBXARRHUSA-N 1 3 380.532 4.109 20 0 GIADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000177356262 823443832 /nfs/dbraw/zinc/44/38/32/823443832.db2.gz LDQYKYKOISFQCK-FQEVSTJZSA-N 1 3 383.511 4.046 20 0 GIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000410345915 823468733 /nfs/dbraw/zinc/46/87/33/823468733.db2.gz TULBBYSUZMINOX-LJQANCHMSA-N 1 3 394.563 4.444 20 0 GIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000410345915 823468736 /nfs/dbraw/zinc/46/87/36/823468736.db2.gz TULBBYSUZMINOX-LJQANCHMSA-N 1 3 394.563 4.444 20 0 GIADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029179510 820407941 /nfs/dbraw/zinc/40/79/41/820407941.db2.gz UQLUREVGEPXPHH-XMMPIXPASA-N 1 3 391.559 4.239 20 0 GIADHO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000030907130 820707026 /nfs/dbraw/zinc/70/70/26/820707026.db2.gz CBBDWXBHLXBSDI-GOSISDBHSA-N 1 3 390.506 4.252 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000181410816 821811216 /nfs/dbraw/zinc/81/12/16/821811216.db2.gz RDFYDJZEMSMNLW-JVPBZIDWSA-N 1 3 386.458 4.004 20 0 GIADHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774885 821987833 /nfs/dbraw/zinc/98/78/33/821987833.db2.gz DELJBHWYZMARAX-IFXJQAMLSA-N 1 3 399.348 4.130 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1CN1CCCCC1 ZINC000182204678 822145886 /nfs/dbraw/zinc/14/58/86/822145886.db2.gz ZJESYOUHXDGVQC-NQIIRXRSSA-N 1 3 385.552 4.228 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249266 822167467 /nfs/dbraw/zinc/16/74/67/822167467.db2.gz CDQFEIJMJLMVML-OXQOHEQNSA-N 1 3 390.474 4.096 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249266 822167474 /nfs/dbraw/zinc/16/74/74/822167474.db2.gz CDQFEIJMJLMVML-OXQOHEQNSA-N 1 3 390.474 4.096 20 0 GIADHO CC(C)COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182266942 822178239 /nfs/dbraw/zinc/17/82/39/822178239.db2.gz OYDIKSAFLOACLQ-CVDCTZTESA-N 1 3 382.548 4.139 20 0 GIADHO CC(C)COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182266942 822178245 /nfs/dbraw/zinc/17/82/45/822178245.db2.gz OYDIKSAFLOACLQ-CVDCTZTESA-N 1 3 382.548 4.139 20 0 GIADHO COc1ccc([C@@H](C)NCc2cccc(NC(C)=O)c2)cc1C[NH+]1CCCCC1 ZINC000182425638 822239261 /nfs/dbraw/zinc/23/92/61/822239261.db2.gz OBGQJKOIPTZFRX-GOSISDBHSA-N 1 3 395.547 4.490 20 0 GIADHO COc1cc(C)c([C@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036850 822292765 /nfs/dbraw/zinc/29/27/65/822292765.db2.gz OXJQKMRSVAFTKZ-ROUUACIJSA-N 1 3 386.536 4.364 20 0 GIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178712553 822404913 /nfs/dbraw/zinc/40/49/13/822404913.db2.gz OBQYVHZAYJRYJR-INIZCTEOSA-N 1 3 394.401 4.128 20 0 GIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178800686 822411567 /nfs/dbraw/zinc/41/15/67/822411567.db2.gz GSFBJEJNXNQDKQ-LAUBAEHRSA-N 1 3 390.543 4.299 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000183029606 822414225 /nfs/dbraw/zinc/41/42/25/822414225.db2.gz ILMCVKWLZDUQDW-ROUUACIJSA-N 1 3 398.595 4.313 20 0 GIADHO CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184175440 822590961 /nfs/dbraw/zinc/59/09/61/822590961.db2.gz VXQGGIAPNMXZCX-XMMPIXPASA-N 1 3 391.559 4.019 20 0 GIADHO C[C@H](OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185758316 822818316 /nfs/dbraw/zinc/81/83/16/822818316.db2.gz ACRAHPZCNNEEMZ-ZHDKGAKHSA-N 1 3 394.987 4.021 20 0 GIADHO C[C@H](OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185758316 822818319 /nfs/dbraw/zinc/81/83/19/822818319.db2.gz ACRAHPZCNNEEMZ-ZHDKGAKHSA-N 1 3 394.987 4.021 20 0 GIADHO C[C@H](OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185758316 822818324 /nfs/dbraw/zinc/81/83/24/822818324.db2.gz ACRAHPZCNNEEMZ-ZHDKGAKHSA-N 1 3 394.987 4.021 20 0 GIADHO COCCOc1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000569746773 822962793 /nfs/dbraw/zinc/96/27/93/822962793.db2.gz FJUTZKWTAMWHIN-HSZRJFAPSA-N 1 3 382.548 4.104 20 0 GIADHO CCc1cccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000569815641 822971980 /nfs/dbraw/zinc/97/19/80/822971980.db2.gz BDMALJKXNWQIAX-UHFFFAOYSA-N 1 3 382.548 4.028 20 0 GIADHO CCc1cccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000569815641 822971982 /nfs/dbraw/zinc/97/19/82/822971982.db2.gz BDMALJKXNWQIAX-UHFFFAOYSA-N 1 3 382.548 4.028 20 0 GIADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000569916151 822985542 /nfs/dbraw/zinc/98/55/42/822985542.db2.gz UFOSIBIFWIRWEO-OAQYLSRUSA-N 1 3 384.495 4.086 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000570341383 823027276 /nfs/dbraw/zinc/02/72/76/823027276.db2.gz HCAQBNCOYAIJTO-UHFFFAOYSA-N 1 3 391.559 4.073 20 0 GIADHO c1ccc(C[NH+]2CCC3(CCN(Cc4ccc(N5CCCC5)nc4)C3)CC2)cc1 ZINC000570470825 823042304 /nfs/dbraw/zinc/04/23/04/823042304.db2.gz YFUXIMQPRQEFBW-UHFFFAOYSA-N 1 3 390.575 4.170 20 0 GIADHO C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)C1 ZINC000411174827 823554594 /nfs/dbraw/zinc/55/45/94/823554594.db2.gz PKQDXGVIBXKANB-NRFANRHFSA-N 1 3 397.607 4.143 20 0 GIADHO CC(C)[NH+]1CCC(N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411221483 823558318 /nfs/dbraw/zinc/55/83/18/823558318.db2.gz DTQLLTXOKNEXHW-UHFFFAOYSA-N 1 3 393.575 4.087 20 0 GIADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411223067 823558494 /nfs/dbraw/zinc/55/84/94/823558494.db2.gz HFGVIEBVPDEPLK-QHCPKHFHSA-N 1 3 399.604 4.148 20 0 GIADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411492899 823581210 /nfs/dbraw/zinc/58/12/10/823581210.db2.gz DOJRGFCOCQNSDJ-MZKRTTBSSA-N 1 3 383.580 4.150 20 0 GIADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411492899 823581212 /nfs/dbraw/zinc/58/12/12/823581212.db2.gz DOJRGFCOCQNSDJ-MZKRTTBSSA-N 1 3 383.580 4.150 20 0 GIADHO C[C@@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512317 823582814 /nfs/dbraw/zinc/58/28/14/823582814.db2.gz APIIFRVKQLFXCE-HUUCEWRRSA-N 1 3 381.923 4.050 20 0 GIADHO C[C@@H](NCCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512317 823582818 /nfs/dbraw/zinc/58/28/18/823582818.db2.gz APIIFRVKQLFXCE-HUUCEWRRSA-N 1 3 381.923 4.050 20 0 GIADHO COc1ccc2oc(CN[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2c1 ZINC000125021734 823645731 /nfs/dbraw/zinc/64/57/31/823645731.db2.gz RCKFCUVPIKDHON-MRXNPFEDSA-N 1 3 397.494 4.183 20 0 GIADHO COc1ccc2oc(C[NH2+][C@H](C)c3cc(F)ccc3N3CCN(C)CC3)cc2c1 ZINC000125021734 823645733 /nfs/dbraw/zinc/64/57/33/823645733.db2.gz RCKFCUVPIKDHON-MRXNPFEDSA-N 1 3 397.494 4.183 20 0 GIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000163562446 823721995 /nfs/dbraw/zinc/72/19/95/823721995.db2.gz MERWNPSXQSFZAW-GOSISDBHSA-N 1 3 381.520 4.336 20 0 GIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000163757787 823745991 /nfs/dbraw/zinc/74/59/91/823745991.db2.gz ZNTOTRCLUQUIKJ-GOSISDBHSA-N 1 3 381.520 4.336 20 0 GIADHO C[C@H](CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559132 823766044 /nfs/dbraw/zinc/76/60/44/823766044.db2.gz SMPJHAOYYOCPIY-RDGATRHJSA-N 1 3 377.576 4.072 20 0 GIADHO C[C@H](CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559132 823766055 /nfs/dbraw/zinc/76/60/55/823766055.db2.gz SMPJHAOYYOCPIY-RDGATRHJSA-N 1 3 377.576 4.072 20 0 GIADHO COc1ccc(Cl)cc1[C@@H](C)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296378 823953718 /nfs/dbraw/zinc/95/37/18/823953718.db2.gz FIWJUHXCZYMGOQ-QGZVFWFLSA-N 1 3 388.939 4.026 20 0 GIADHO OC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCN(Cc2ccccc2)CC1 ZINC000414531928 824003294 /nfs/dbraw/zinc/00/32/94/824003294.db2.gz AHOQZLDFYUMPKO-UHFFFAOYSA-N 1 3 395.934 4.005 20 0 GIADHO CCOc1c(Br)cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414808130 824038378 /nfs/dbraw/zinc/03/83/78/824038378.db2.gz KGOYNVATLMVJFX-ZDUSSCGKSA-N 1 3 393.325 4.166 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856114 824042717 /nfs/dbraw/zinc/04/27/17/824042717.db2.gz NXJAQGYFOABSJS-FRRDWIJNSA-N 1 3 391.865 4.054 20 0 GIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCS2 ZINC000187536622 823084373 /nfs/dbraw/zinc/08/43/73/823084373.db2.gz YUXPLWAUDHGQTF-UNMCSNQZSA-N 1 3 382.573 4.197 20 0 GIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000187536622 823084380 /nfs/dbraw/zinc/08/43/80/823084380.db2.gz YUXPLWAUDHGQTF-UNMCSNQZSA-N 1 3 382.573 4.197 20 0 GIADHO CC[NH+](CC)Cc1ccc(CNCc2ccccc2N2CCO[C@H](C)C2)cc1 ZINC000459382225 823178490 /nfs/dbraw/zinc/17/84/90/823178490.db2.gz SNAIXVQULDDYGY-HXUWFJFHSA-N 1 3 381.564 4.043 20 0 GIADHO C[C@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868088 823247774 /nfs/dbraw/zinc/24/77/74/823247774.db2.gz SONWXWUGKGFGSA-KPQWGBOZSA-N 1 3 389.547 4.361 20 0 GIADHO C[C@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868088 823247775 /nfs/dbraw/zinc/24/77/75/823247775.db2.gz SONWXWUGKGFGSA-KPQWGBOZSA-N 1 3 389.547 4.361 20 0 GIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)C1 ZINC000188631786 823276692 /nfs/dbraw/zinc/27/66/92/823276692.db2.gz LKCAKQVQQADEGY-NEPXVJNWSA-N 1 3 376.507 4.103 20 0 GIADHO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)cc(OC)c1OCc1ccccc1 ZINC000015569239 818339800 /nfs/dbraw/zinc/33/98/00/818339800.db2.gz SQGJHHBIDGRLBZ-UHFFFAOYSA-N 1 3 398.547 4.245 20 0 GIADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000177310111 823428936 /nfs/dbraw/zinc/42/89/36/823428936.db2.gz NPXQQVYWTBYZPK-HXUWFJFHSA-N 1 3 393.575 4.010 20 0 GIADHO C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170685 823459437 /nfs/dbraw/zinc/45/94/37/823459437.db2.gz HRKTWNCUHKIDPL-UNMCSNQZSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170685 823459441 /nfs/dbraw/zinc/45/94/41/823459441.db2.gz HRKTWNCUHKIDPL-UNMCSNQZSA-N 1 3 389.547 4.220 20 0 GIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170685 823459446 /nfs/dbraw/zinc/45/94/46/823459446.db2.gz HRKTWNCUHKIDPL-UNMCSNQZSA-N 1 3 389.547 4.220 20 0 GIADHO C[NH+](C)Cc1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000027219649 820211347 /nfs/dbraw/zinc/21/13/47/820211347.db2.gz XAYUJVQVYSLRLW-UHFFFAOYSA-N 1 3 397.526 4.286 20 0 GIADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027606558 820266899 /nfs/dbraw/zinc/26/68/99/820266899.db2.gz AJTOGJWUUBOFGX-OAQYLSRUSA-N 1 3 397.588 4.301 20 0 GIADHO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000177562849 823491762 /nfs/dbraw/zinc/49/17/62/823491762.db2.gz SMMANGCQPYGGDV-UHFFFAOYSA-N 1 3 396.579 4.278 20 0 GIADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000180999447 821585099 /nfs/dbraw/zinc/58/50/99/821585099.db2.gz QXMURCDFRXZRPM-CQSZACIVSA-N 1 3 394.346 4.136 20 0 GIADHO c1sc(CCNC2CC[NH+](CCc3ccccc3)CC2)nc1-c1ccccn1 ZINC000181010932 821591614 /nfs/dbraw/zinc/59/16/14/821591614.db2.gz GXJABXSWXMHXBR-UHFFFAOYSA-N 1 3 392.572 4.044 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241133 822162648 /nfs/dbraw/zinc/16/26/48/822162648.db2.gz GVRYPUUESIDFHM-OXJNMPFZSA-N 1 3 390.474 4.096 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241133 822162654 /nfs/dbraw/zinc/16/26/54/822162654.db2.gz GVRYPUUESIDFHM-OXJNMPFZSA-N 1 3 390.474 4.096 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261609 822175306 /nfs/dbraw/zinc/17/53/06/822175306.db2.gz QAERRZZPCWGCDD-URXFXBBRSA-N 1 3 382.523 4.413 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261609 822175310 /nfs/dbraw/zinc/17/53/10/822175310.db2.gz QAERRZZPCWGCDD-URXFXBBRSA-N 1 3 382.523 4.413 20 0 GIADHO Cc1ccsc1[C@@H](NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1F ZINC000182639389 822334578 /nfs/dbraw/zinc/33/45/78/822334578.db2.gz ZNQSPEZCGZSDHG-IBGZPJMESA-N 1 3 396.959 4.232 20 0 GIADHO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(Cl)nc1 ZINC000179121674 822440657 /nfs/dbraw/zinc/44/06/57/822440657.db2.gz XVNVTEXFQYXSRM-GJZGRUSLSA-N 1 3 376.907 4.038 20 0 GIADHO C[C@H](CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000183226164 822444273 /nfs/dbraw/zinc/44/42/73/822444273.db2.gz AWJHQQHTNCSFEO-JKSUJKDBSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000183226164 822444275 /nfs/dbraw/zinc/44/42/75/822444275.db2.gz AWJHQQHTNCSFEO-JKSUJKDBSA-N 1 3 385.474 4.277 20 0 GIADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1CN1CCCCC1 ZINC000183387910 822467290 /nfs/dbraw/zinc/46/72/90/822467290.db2.gz YMOKPRQKXAWJJE-DENIHFKCSA-N 1 3 394.563 4.006 20 0 GIADHO CC[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(C)ccc1OC ZINC000179424977 822480573 /nfs/dbraw/zinc/48/05/73/822480573.db2.gz OMFIUEHSVNCONL-QHCPKHFHSA-N 1 3 382.548 4.201 20 0 GIADHO COc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc12 ZINC000179509975 822493378 /nfs/dbraw/zinc/49/33/78/822493378.db2.gz UDBLPPKRNQPACF-KRWDZBQOSA-N 1 3 379.504 4.035 20 0 GIADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183953516 822553170 /nfs/dbraw/zinc/55/31/70/822553170.db2.gz PCZWSQRVGWZTFG-GOSISDBHSA-N 1 3 392.609 4.176 20 0 GIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180108701 822616735 /nfs/dbraw/zinc/61/67/35/822616735.db2.gz DNNAYODLOQPWQJ-JOCHJYFZSA-N 1 3 389.946 4.186 20 0 GIADHO COCCC[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000180402853 822676213 /nfs/dbraw/zinc/67/62/13/822676213.db2.gz HUXPEHLITPEVQM-LJQANCHMSA-N 1 3 383.374 4.379 20 0 GIADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(C(F)F)cc2)CC1 ZINC000185171862 822745315 /nfs/dbraw/zinc/74/53/15/822745315.db2.gz UJGGWBJLXJTOCZ-UHFFFAOYSA-N 1 3 379.882 4.319 20 0 GIADHO C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174400421 822784654 /nfs/dbraw/zinc/78/46/54/822784654.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 1 3 392.465 4.193 20 0 GIADHO C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174400421 822784657 /nfs/dbraw/zinc/78/46/57/822784657.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 1 3 392.465 4.193 20 0 GIADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000569916150 822985534 /nfs/dbraw/zinc/98/55/34/822985534.db2.gz UFOSIBIFWIRWEO-NRFANRHFSA-N 1 3 384.495 4.086 20 0 GIADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411217542 823557901 /nfs/dbraw/zinc/55/79/01/823557901.db2.gz ACRVCZLEXDWVGV-UHFFFAOYSA-N 1 3 393.575 4.396 20 0 GIADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000411473904 823578938 /nfs/dbraw/zinc/57/89/38/823578938.db2.gz WUAAWXRKHWKSDY-KRWDZBQOSA-N 1 3 399.966 4.258 20 0 GIADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(Cl)c3ccccc32)CC1 ZINC000411549757 823587509 /nfs/dbraw/zinc/58/75/09/823587509.db2.gz HSOYWSWLYPBEPQ-INIZCTEOSA-N 1 3 387.955 4.133 20 0 GIADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CC1 ZINC000411783519 823604359 /nfs/dbraw/zinc/60/43/59/823604359.db2.gz IZTSYYXGDQDRRC-QHCPKHFHSA-N 1 3 397.607 4.257 20 0 GIADHO C[C@H]1CN(CCCC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)C[C@H](C)O1 ZINC000062253177 823626741 /nfs/dbraw/zinc/62/67/41/823626741.db2.gz REMDWUOLKNAILW-IRXDYDNUSA-N 1 3 392.490 4.420 20 0 GIADHO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125195858 823658440 /nfs/dbraw/zinc/65/84/40/823658440.db2.gz NPRKQSRCJLRDTB-MOPGFXCFSA-N 1 3 375.520 4.144 20 0 GIADHO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnn1C(C)C ZINC000191268660 823665638 /nfs/dbraw/zinc/66/56/38/823665638.db2.gz KKLKIMUHFDFHER-SJORKVTESA-N 1 3 387.547 4.075 20 0 GIADHO COc1ccc([C@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000163970691 823767197 /nfs/dbraw/zinc/76/71/97/823767197.db2.gz QNASUROEAHPCDM-IBGZPJMESA-N 1 3 398.547 4.036 20 0 GIADHO COc1ccc([C@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000163970691 823767205 /nfs/dbraw/zinc/76/72/05/823767205.db2.gz QNASUROEAHPCDM-IBGZPJMESA-N 1 3 398.547 4.036 20 0 GIADHO CCC[NH+]1CCC(N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462037546 823806687 /nfs/dbraw/zinc/80/66/87/823806687.db2.gz IFVVNFWNSUAIDR-QFIPXVFZSA-N 1 3 382.548 4.452 20 0 GIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCCO2 ZINC000165163188 823837129 /nfs/dbraw/zinc/83/71/29/823837129.db2.gz UBGLTAXIXAAEHC-QFIPXVFZSA-N 1 3 384.520 4.029 20 0 GIADHO CCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000414804468 824037675 /nfs/dbraw/zinc/03/76/75/824037675.db2.gz FDBLKXJCDXJVMW-ZDUSSCGKSA-N 1 3 393.325 4.166 20 0 GIADHO Fc1cccc(CN2CC[C@]23CCCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164995625 722204288 /nfs/dbraw/zinc/20/42/88/722204288.db2.gz OSASCPOJGZLUHW-QHCPKHFHSA-N 1 3 380.511 4.066 20 0 GIADHO CCC[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000187786377 823132823 /nfs/dbraw/zinc/13/28/23/823132823.db2.gz HDJUSAUCOGWJCQ-NRFANRHFSA-N 1 3 385.577 4.205 20 0 GIADHO COc1ccc2c(c1)[C@H](NCc1cccc(OCC[NH+](C)C)c1)CCCS2 ZINC000187789495 823133427 /nfs/dbraw/zinc/13/34/27/823133427.db2.gz NRPMMQLDCVDSAX-OAQYLSRUSA-N 1 3 386.561 4.352 20 0 GIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000459386008 823179534 /nfs/dbraw/zinc/17/95/34/823179534.db2.gz XPXSYIKZPYUBHV-FQEVSTJZSA-N 1 3 381.564 4.043 20 0 GIADHO C[C@@H]1CN(c2ccccc2CNCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000459386817 823179997 /nfs/dbraw/zinc/17/99/97/823179997.db2.gz YSSLAYDDGVRZNV-OAQYLSRUSA-N 1 3 393.575 4.187 20 0 GIADHO C[C@@H]1C[N@H+](CCCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545045 823198572 /nfs/dbraw/zinc/19/85/72/823198572.db2.gz NURBCKLCEVIHIU-DNVCBOLYSA-N 1 3 386.458 4.127 20 0 GIADHO C[C@@H]1C[N@@H+](CCCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545045 823198578 /nfs/dbraw/zinc/19/85/78/823198578.db2.gz NURBCKLCEVIHIU-DNVCBOLYSA-N 1 3 386.458 4.127 20 0 GIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100721 823447489 /nfs/dbraw/zinc/44/74/89/823447489.db2.gz IOCNIIKOVVATHO-SPEDKVCISA-N 1 3 377.532 4.275 20 0 GIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100721 823447490 /nfs/dbraw/zinc/44/74/90/823447490.db2.gz IOCNIIKOVVATHO-SPEDKVCISA-N 1 3 377.532 4.275 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123012520 823447957 /nfs/dbraw/zinc/44/79/57/823447957.db2.gz ULDMDSLRVZJPEI-QGZVFWFLSA-N 1 3 377.532 4.363 20 0 GIADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029179509 820407843 /nfs/dbraw/zinc/40/78/43/820407843.db2.gz UQLUREVGEPXPHH-DEOSSOPVSA-N 1 3 391.559 4.239 20 0 GIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3c2cc(Br)cc3F)c1 ZINC000123608673 823525399 /nfs/dbraw/zinc/52/53/99/823525399.db2.gz FECKQLOIXRHHLE-LJQANCHMSA-N 1 3 377.301 4.427 20 0 GIADHO COCCc1nc(C)c([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405317 821809134 /nfs/dbraw/zinc/80/91/34/821809134.db2.gz WZHAQZKWQXTDBU-WBVHZDCISA-N 1 3 393.622 4.265 20 0 GIADHO COCCc1nc(C)c([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405317 821809144 /nfs/dbraw/zinc/80/91/44/821809144.db2.gz WZHAQZKWQXTDBU-WBVHZDCISA-N 1 3 393.622 4.265 20 0 GIADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518418 821864389 /nfs/dbraw/zinc/86/43/89/821864389.db2.gz NZNJFRFHTIYPDJ-DLBZAZTESA-N 1 3 399.501 4.380 20 0 GIADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518418 821864402 /nfs/dbraw/zinc/86/44/02/821864402.db2.gz NZNJFRFHTIYPDJ-DLBZAZTESA-N 1 3 399.501 4.380 20 0 GIADHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774922 821987663 /nfs/dbraw/zinc/98/76/63/821987663.db2.gz DELJBHWYZMARAX-AUUYWEPGSA-N 1 3 399.348 4.130 20 0 GIADHO CC(C)c1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260197 822173843 /nfs/dbraw/zinc/17/38/43/822173843.db2.gz POFSHNVLVNEUGG-LADGPHEKSA-N 1 3 394.559 4.380 20 0 GIADHO CC(C)c1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260197 822173846 /nfs/dbraw/zinc/17/38/46/822173846.db2.gz POFSHNVLVNEUGG-LADGPHEKSA-N 1 3 394.559 4.380 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1CN1CCCCC1 ZINC000182259545 822173868 /nfs/dbraw/zinc/17/38/68/822173868.db2.gz ZQHQDFKAOVPWKJ-GOSISDBHSA-N 1 3 395.547 4.490 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1CN1CCCCC1 ZINC000182483932 822260983 /nfs/dbraw/zinc/26/09/83/822260983.db2.gz GRVAGWICNDAQMP-GOSISDBHSA-N 1 3 388.552 4.017 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978077 822266875 /nfs/dbraw/zinc/26/68/75/822266875.db2.gz HEVGGELNRXQNDT-SFHVURJKSA-N 1 3 381.520 4.334 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978077 822266881 /nfs/dbraw/zinc/26/68/81/822266881.db2.gz HEVGGELNRXQNDT-SFHVURJKSA-N 1 3 381.520 4.334 20 0 GIADHO COCCC[NH+]1CCC(N[C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182770923 822365177 /nfs/dbraw/zinc/36/51/77/822365177.db2.gz RQLGSAMVFBLOPL-IBGZPJMESA-N 1 3 384.536 4.469 20 0 GIADHO CCCOc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000178307324 822365904 /nfs/dbraw/zinc/36/59/04/822365904.db2.gz RYXJZLUYPAMASG-LJQANCHMSA-N 1 3 382.548 4.283 20 0 GIADHO C[C@@H](NCc1ccc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178713231 822405044 /nfs/dbraw/zinc/40/50/44/822405044.db2.gz GYPOLESGENOPBD-CYBMUJFWSA-N 1 3 383.355 4.302 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OC ZINC000183011085 822410902 /nfs/dbraw/zinc/41/09/02/822410902.db2.gz TVUIKSWMRYTVOZ-HRAATJIYSA-N 1 3 376.566 4.157 20 0 GIADHO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000183029624 822414119 /nfs/dbraw/zinc/41/41/19/822414119.db2.gz ILMCVKWLZDUQDW-QZTJIDSGSA-N 1 3 398.595 4.313 20 0 GIADHO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183197116 822439835 /nfs/dbraw/zinc/43/98/35/822439835.db2.gz DFJCVRUEMHKYSK-SMVLHYPJSA-N 1 3 379.589 4.065 20 0 GIADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391506 822476044 /nfs/dbraw/zinc/47/60/44/822476044.db2.gz DYIXPVHJUCWLCH-HXUWFJFHSA-N 1 3 394.563 4.264 20 0 GIADHO Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455930026 822751609 /nfs/dbraw/zinc/75/16/09/822751609.db2.gz OXHZIWUWFIAUTM-HSZRJFAPSA-N 1 3 394.563 4.140 20 0 GIADHO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000569014690 822870018 /nfs/dbraw/zinc/87/00/18/822870018.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 1 3 386.971 4.119 20 0 GIADHO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000569014690 822870019 /nfs/dbraw/zinc/87/00/19/822870019.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 1 3 386.971 4.119 20 0 GIADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000175315686 822932805 /nfs/dbraw/zinc/93/28/05/822932805.db2.gz WARSWSWVBIWILW-UHFFFAOYSA-N 1 3 391.515 4.020 20 0 GIADHO CC1CC[NH+](Cc2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2)CC1 ZINC000187108384 823011481 /nfs/dbraw/zinc/01/14/81/823011481.db2.gz FPHRTFPRLCBZOA-UHFFFAOYSA-N 1 3 391.559 4.117 20 0 GIADHO Cc1c(Br)cccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176568 823012497 /nfs/dbraw/zinc/01/24/97/823012497.db2.gz SVSIJISHEUEEPS-QUCCMNQESA-N 1 3 387.321 4.103 20 0 GIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411535135 823585749 /nfs/dbraw/zinc/58/57/49/823585749.db2.gz QPIMNYYCPZDGFM-MOJGAOKDSA-N 1 3 390.531 4.025 20 0 GIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411535135 823585751 /nfs/dbraw/zinc/58/57/51/823585751.db2.gz QPIMNYYCPZDGFM-MOJGAOKDSA-N 1 3 390.531 4.025 20 0 GIADHO COc1ccc(C[NH+]2CCC(CNCc3c(F)cccc3Cl)CC2)cc1 ZINC000063319617 823662153 /nfs/dbraw/zinc/66/21/53/823662153.db2.gz DRYONTZQLVUTPX-UHFFFAOYSA-N 1 3 376.903 4.490 20 0 GIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191522280 823695008 /nfs/dbraw/zinc/69/50/08/823695008.db2.gz LEHBSXFJDIQVLV-VAMGGRTRSA-N 1 3 395.385 4.379 20 0 GIADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191522280 823695012 /nfs/dbraw/zinc/69/50/12/823695012.db2.gz LEHBSXFJDIQVLV-VAMGGRTRSA-N 1 3 395.385 4.379 20 0 GIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125747263 823703402 /nfs/dbraw/zinc/70/34/02/823703402.db2.gz QJUPPRMQDOBTLN-HOTGVXAUSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125747263 823703407 /nfs/dbraw/zinc/70/34/07/823703407.db2.gz QJUPPRMQDOBTLN-HOTGVXAUSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125747263 823703412 /nfs/dbraw/zinc/70/34/12/823703412.db2.gz QJUPPRMQDOBTLN-HOTGVXAUSA-N 1 3 385.474 4.133 20 0 GIADHO O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000125966822 823755577 /nfs/dbraw/zinc/75/55/77/823755577.db2.gz HBNVCHCOXKGRDX-UHFFFAOYSA-N 1 3 381.495 4.042 20 0 GIADHO Cc1cccc([C@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000163973828 823767393 /nfs/dbraw/zinc/76/73/93/823767393.db2.gz DPECGAFBZJLNOI-FQEVSTJZSA-N 1 3 382.548 4.335 20 0 GIADHO Cc1cccc([C@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000163973828 823767400 /nfs/dbraw/zinc/76/74/00/823767400.db2.gz DPECGAFBZJLNOI-FQEVSTJZSA-N 1 3 382.548 4.335 20 0 GIADHO COc1cc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000164041455 823772691 /nfs/dbraw/zinc/77/26/91/823772691.db2.gz HTUIPHFQGKSJQN-GOSISDBHSA-N 1 3 395.547 4.194 20 0 GIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165167253 823837541 /nfs/dbraw/zinc/83/75/41/823837541.db2.gz PSLSQSQGMYHJCY-QGZVFWFLSA-N 1 3 395.547 4.098 20 0 GIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000166483778 823878629 /nfs/dbraw/zinc/87/86/29/823878629.db2.gz RGEUZQIRBYEJNF-ARNLJNQMSA-N 1 3 378.560 4.309 20 0 GIADHO Fc1ccc2oc(C[NH2+]CCCCN3CCN(c4ccccc4)CC3)cc2c1 ZINC000462368563 823944726 /nfs/dbraw/zinc/94/47/26/823944726.db2.gz NUWNGPVAXZUFGT-UHFFFAOYSA-N 1 3 381.495 4.264 20 0 GIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414292131 823952518 /nfs/dbraw/zinc/95/25/18/823952518.db2.gz AJFPMXGONHQJKN-QGZVFWFLSA-N 1 3 392.465 4.383 20 0 GIADHO c1csc(CN2CCC[C@H](C[NH2+]C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000126803563 823955361 /nfs/dbraw/zinc/95/53/61/823955361.db2.gz IFBSVAUJZFZWLM-JOCHJYFZSA-N 1 3 397.632 4.257 20 0 GIADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1C(F)(F)F ZINC000414427519 823982978 /nfs/dbraw/zinc/98/29/78/823982978.db2.gz JQOZOOFUMQYGFR-HXUWFJFHSA-N 1 3 392.465 4.260 20 0 GIADHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C(F)(F)F ZINC000414427519 823982985 /nfs/dbraw/zinc/98/29/85/823982985.db2.gz JQOZOOFUMQYGFR-HXUWFJFHSA-N 1 3 392.465 4.260 20 0 GIADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856116 824042736 /nfs/dbraw/zinc/04/27/36/824042736.db2.gz NXJAQGYFOABSJS-JHJVBQTASA-N 1 3 391.865 4.054 20 0 GIADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414916721 824050022 /nfs/dbraw/zinc/05/00/22/824050022.db2.gz QEJLSTYNMNYDSW-YVEFUNNKSA-N 1 3 391.865 4.055 20 0 GIADHO C[C@@H](NCc1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000120857657 823078247 /nfs/dbraw/zinc/07/82/47/823078247.db2.gz XWEAOSXYZYUNMU-OAHLLOKOSA-N 1 3 377.326 4.240 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](C(C)(C)C)CC1 ZINC000121090068 823116638 /nfs/dbraw/zinc/11/66/38/823116638.db2.gz QIHDPMFJFOFZPN-AWEZNQCLSA-N 1 3 385.474 4.275 20 0 GIADHO COc1ccc2c(c1)[C@H](NCc1ccc(OCC[NH+](C)C)cc1)CCCS2 ZINC000187789229 823133482 /nfs/dbraw/zinc/13/34/82/823133482.db2.gz BSIFBEBWKPLFLY-OAQYLSRUSA-N 1 3 386.561 4.352 20 0 GIADHO C[NH+](C)Cc1ccc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459383820 823179146 /nfs/dbraw/zinc/17/91/46/823179146.db2.gz VIYNCKLBIXONCS-UHFFFAOYSA-N 1 3 389.547 4.412 20 0 GIADHO C[C@H]1CN(c2ccccc2CNCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000459386815 823179855 /nfs/dbraw/zinc/17/98/55/823179855.db2.gz YSSLAYDDGVRZNV-NRFANRHFSA-N 1 3 393.575 4.187 20 0 GIADHO O=c1cc(C[N@@H+]2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)occ1O ZINC000571882511 823249432 /nfs/dbraw/zinc/24/94/32/823249432.db2.gz WARVRWPQHROIEJ-JOCHJYFZSA-N 1 3 396.531 4.002 20 0 GIADHO O=c1cc(C[N@H+]2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)occ1O ZINC000571882511 823249434 /nfs/dbraw/zinc/24/94/34/823249434.db2.gz WARVRWPQHROIEJ-JOCHJYFZSA-N 1 3 396.531 4.002 20 0 GIADHO COc1ccccc1-c1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176748854 823283780 /nfs/dbraw/zinc/28/37/80/823283780.db2.gz IKFMVYOQHIZWGF-UHFFFAOYSA-N 1 3 382.548 4.341 20 0 GIADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)CC3 ZINC000123341277 823498833 /nfs/dbraw/zinc/49/88/33/823498833.db2.gz RZHWBECHOFPROB-GOSISDBHSA-N 1 3 381.564 4.421 20 0 GIADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)CC3 ZINC000123638900 823528301 /nfs/dbraw/zinc/52/83/01/823528301.db2.gz QJJVSHKJINSVEL-FGTMMUONSA-N 1 3 381.564 4.276 20 0 GIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181413012 821812288 /nfs/dbraw/zinc/81/22/88/821812288.db2.gz GXVRYYNACCCZGJ-GJJHYRHESA-N 1 3 387.593 4.146 20 0 GIADHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774870 821987674 /nfs/dbraw/zinc/98/76/74/821987674.db2.gz DELJBHWYZMARAX-LIRRHRJNSA-N 1 3 399.348 4.130 20 0 GIADHO CC(C)COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182266925 822178203 /nfs/dbraw/zinc/17/82/03/822178203.db2.gz OYDIKSAFLOACLQ-XXBNENTESA-N 1 3 382.548 4.139 20 0 GIADHO CC(C)COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182266925 822178209 /nfs/dbraw/zinc/17/82/09/822178209.db2.gz OYDIKSAFLOACLQ-XXBNENTESA-N 1 3 382.548 4.139 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000182285389 822186637 /nfs/dbraw/zinc/18/66/37/822186637.db2.gz XBFNZTLRSKVWEQ-HTAPYJJXSA-N 1 3 386.511 4.204 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccc(NC(C)=O)c2)ccc1OC ZINC000182425412 822239167 /nfs/dbraw/zinc/23/91/67/822239167.db2.gz YKRLOJUQYSWUDV-KRWDZBQOSA-N 1 3 383.536 4.346 20 0 GIADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCS2 ZINC000178255895 822359277 /nfs/dbraw/zinc/35/92/77/822359277.db2.gz IEPFHJSYROWHPR-KRWDZBQOSA-N 1 3 381.383 4.450 20 0 GIADHO C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182802582 822370056 /nfs/dbraw/zinc/37/00/56/822370056.db2.gz ZIXCJTALYRMPGZ-LJQANCHMSA-N 1 3 399.604 4.349 20 0 GIADHO CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178478997 822383563 /nfs/dbraw/zinc/38/35/63/822383563.db2.gz IOMNMKSNSRPUMD-SFHVURJKSA-N 1 3 383.536 4.072 20 0 GIADHO C[C@H](NCc1ccc(Br)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000178713467 822405113 /nfs/dbraw/zinc/40/51/13/822405113.db2.gz DNPJMOWVKFZUPA-ZDUSSCGKSA-N 1 3 383.355 4.302 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2C)cc1CN1CCCCC1 ZINC000183020524 822412391 /nfs/dbraw/zinc/41/23/91/822412391.db2.gz XBNQYNYVZOTZON-LJQANCHMSA-N 1 3 384.568 4.317 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1CN1CCCCC1 ZINC000183146762 822430944 /nfs/dbraw/zinc/43/09/44/822430944.db2.gz GTQIIDMTQRWLAD-LVCYWYKZSA-N 1 3 386.536 4.437 20 0 GIADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(C)ccc1OC ZINC000179424990 822480565 /nfs/dbraw/zinc/48/05/65/822480565.db2.gz OMFIUEHSVNCONL-HSZRJFAPSA-N 1 3 382.548 4.201 20 0 GIADHO COc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc12 ZINC000179509984 822493426 /nfs/dbraw/zinc/49/34/26/822493426.db2.gz UDBLPPKRNQPACF-QGZVFWFLSA-N 1 3 379.504 4.035 20 0 GIADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000179511586 822493917 /nfs/dbraw/zinc/49/39/17/822493917.db2.gz YZWBROMNCNKRKU-GOSISDBHSA-N 1 3 392.341 4.025 20 0 GIADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180108718 822616759 /nfs/dbraw/zinc/61/67/59/822616759.db2.gz DNNAYODLOQPWQJ-QFIPXVFZSA-N 1 3 389.946 4.186 20 0 GIADHO COc1ccc([C@H](C)NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000180268612 822651603 /nfs/dbraw/zinc/65/16/03/822651603.db2.gz XDJOMZSKURNGSL-KRWDZBQOSA-N 1 3 385.527 4.216 20 0 GIADHO Cc1ccccc1[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)C1CCC(C)CC1 ZINC000569687291 822955394 /nfs/dbraw/zinc/95/53/94/822955394.db2.gz YPJLXSKTKKBUHP-QRFVXNFXSA-N 1 3 381.568 4.237 20 0 GIADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123511 823014032 /nfs/dbraw/zinc/01/40/32/823014032.db2.gz ARZIFKABABHEHD-IBGZPJMESA-N 1 3 391.559 4.117 20 0 GIADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123511 823014036 /nfs/dbraw/zinc/01/40/36/823014036.db2.gz ARZIFKABABHEHD-IBGZPJMESA-N 1 3 391.559 4.117 20 0 GIADHO CC(CCN1CCCC[C@@H]1c1cc[nH]n1)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000411719331 823599780 /nfs/dbraw/zinc/59/97/80/823599780.db2.gz NMKCPJVZMVFGEO-FGZHOGPDSA-N 1 3 384.572 4.303 20 0 GIADHO CC(CCN1CCCC[C@@H]1c1cc[nH]n1)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000411719331 823599785 /nfs/dbraw/zinc/59/97/85/823599785.db2.gz NMKCPJVZMVFGEO-FGZHOGPDSA-N 1 3 384.572 4.303 20 0 GIADHO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000124730228 823621696 /nfs/dbraw/zinc/62/16/96/823621696.db2.gz QRUYBKQCARHWLL-UFYCRDLUSA-N 1 3 389.547 4.075 20 0 GIADHO C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254845 823640365 /nfs/dbraw/zinc/64/03/65/823640365.db2.gz YSMLVUJTCLVOEU-DENIHFKCSA-N 1 3 383.580 4.055 20 0 GIADHO C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254845 823640368 /nfs/dbraw/zinc/64/03/68/823640368.db2.gz YSMLVUJTCLVOEU-DENIHFKCSA-N 1 3 383.580 4.055 20 0 GIADHO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125195669 823658390 /nfs/dbraw/zinc/65/83/90/823658390.db2.gz NPRKQSRCJLRDTB-OALUTQOASA-N 1 3 375.520 4.144 20 0 GIADHO CCCN1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000063312969 823661751 /nfs/dbraw/zinc/66/17/51/823661751.db2.gz SANXKNARUVHRMX-UHFFFAOYSA-N 1 3 392.547 4.186 20 0 GIADHO CCCN1CCC([NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461794417 823696256 /nfs/dbraw/zinc/69/62/56/823696256.db2.gz ARUGKDSZTAPYCS-JOCHJYFZSA-N 1 3 383.605 4.312 20 0 GIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789477 823711144 /nfs/dbraw/zinc/71/11/44/823711144.db2.gz XYZWTBPROJUIFC-JKSUJKDBSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789477 823711148 /nfs/dbraw/zinc/71/11/48/823711148.db2.gz XYZWTBPROJUIFC-JKSUJKDBSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789477 823711152 /nfs/dbraw/zinc/71/11/52/823711152.db2.gz XYZWTBPROJUIFC-JKSUJKDBSA-N 1 3 385.474 4.133 20 0 GIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000063917405 823711515 /nfs/dbraw/zinc/71/15/15/823711515.db2.gz WQWXQYJPVHSREY-OAQYLSRUSA-N 1 3 392.547 4.043 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000163928412 823762132 /nfs/dbraw/zinc/76/21/32/823762132.db2.gz YXQCGCWJBQFYJA-IBGZPJMESA-N 1 3 393.531 4.480 20 0 GIADHO CC[NH+]1CCC(N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462041572 823808799 /nfs/dbraw/zinc/80/87/99/823808799.db2.gz VMJIYKXDQIEYGJ-QFIPXVFZSA-N 1 3 382.548 4.370 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000164988901 823828716 /nfs/dbraw/zinc/82/87/16/823828716.db2.gz RZTCXKZXVKATIC-URXKWEQPSA-N 1 3 376.591 4.219 20 0 GIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000164988901 823828728 /nfs/dbraw/zinc/82/87/28/823828728.db2.gz RZTCXKZXVKATIC-URXKWEQPSA-N 1 3 376.591 4.219 20 0 GIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307709 823843285 /nfs/dbraw/zinc/84/32/85/823843285.db2.gz RUHKPYIXYSRTEF-CTNGQTDRSA-N 1 3 380.532 4.063 20 0 GIADHO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007652 823885846 /nfs/dbraw/zinc/88/58/46/823885846.db2.gz JILZHXVVYKZISQ-UTKZUKDTSA-N 1 3 399.604 4.339 20 0 GIADHO COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccc(C[NH3+])cc2)CCC3)cc1 ZINC000575181452 823932807 /nfs/dbraw/zinc/93/28/07/823932807.db2.gz DRIAZGPXFCTGRZ-IBGZPJMESA-N 1 3 379.529 4.445 20 0 GIADHO OC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CCN(Cc2ccccc2)CC1 ZINC000414532207 824003650 /nfs/dbraw/zinc/00/36/50/824003650.db2.gz AOYCNXIFYZIEMN-UHFFFAOYSA-N 1 3 395.934 4.005 20 0 GIADHO C[N@H+](CCOc1cccc(CNCc2coc3ccccc23)c1)C1CCOCC1 ZINC000121255408 823148662 /nfs/dbraw/zinc/14/86/62/823148662.db2.gz MDGSDQXXZNCKDA-UHFFFAOYSA-N 1 3 394.515 4.212 20 0 GIADHO C[N@@H+](CCOc1cccc(CNCc2coc3ccccc23)c1)C1CCOCC1 ZINC000121255408 823148666 /nfs/dbraw/zinc/14/86/66/823148666.db2.gz MDGSDQXXZNCKDA-UHFFFAOYSA-N 1 3 394.515 4.212 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459729072 823257420 /nfs/dbraw/zinc/25/74/20/823257420.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 1 3 393.550 4.010 20 0 GIADHO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459729072 823257426 /nfs/dbraw/zinc/25/74/26/823257426.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 1 3 393.550 4.010 20 0 GIADHO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000177028790 823353847 /nfs/dbraw/zinc/35/38/47/823353847.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 1 3 397.588 4.414 20 0 GIADHO CN(C)C(=O)Sc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000177028790 823353855 /nfs/dbraw/zinc/35/38/55/823353855.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 1 3 397.588 4.414 20 0 GIADHO Fc1cccc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)c1 ZINC000030913921 820707708 /nfs/dbraw/zinc/70/77/08/820707708.db2.gz XOCJZWDWCDOGLJ-UHFFFAOYSA-N 1 3 389.518 4.438 20 0 GIADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000044277591 821558243 /nfs/dbraw/zinc/55/82/43/821558243.db2.gz HYJKIXFSVMEDDD-UHFFFAOYSA-N 1 3 388.581 4.186 20 0 GIADHO Cc1cc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)s1 ZINC000180974659 821566536 /nfs/dbraw/zinc/56/65/36/821566536.db2.gz ZAOCAJFDIWOIAU-QGZVFWFLSA-N 1 3 385.577 4.041 20 0 GIADHO CC1CC[NH+](C2CCC(N[C@H](c3cnn(C)c3)c3cccc(F)c3)CC2)CC1 ZINC000181003779 821587493 /nfs/dbraw/zinc/58/74/93/821587493.db2.gz SYTXZVIRQIMRJK-VNXZQDSDSA-N 1 3 384.543 4.281 20 0 GIADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc(Br)cc1Br ZINC000044516487 821598182 /nfs/dbraw/zinc/59/81/82/821598182.db2.gz RUHJHTSLZVPIBU-NSHDSACASA-N 1 3 390.163 4.204 20 0 GIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235495 822159992 /nfs/dbraw/zinc/15/99/92/822159992.db2.gz ZUZVTWOCUHTVHV-GGAORHGYSA-N 1 3 392.543 4.179 20 0 GIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235495 822159995 /nfs/dbraw/zinc/15/99/95/822159995.db2.gz ZUZVTWOCUHTVHV-GGAORHGYSA-N 1 3 392.543 4.179 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268279 822180081 /nfs/dbraw/zinc/18/00/81/822180081.db2.gz YJSXLWRNFFAYSV-JTHBVZDNSA-N 1 3 392.543 4.179 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268279 822180085 /nfs/dbraw/zinc/18/00/85/822180085.db2.gz YJSXLWRNFFAYSV-JTHBVZDNSA-N 1 3 392.543 4.179 20 0 GIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178035513 822292025 /nfs/dbraw/zinc/29/20/25/822292025.db2.gz MEMNDZJIXGDYJZ-SLFFLAALSA-N 1 3 389.584 4.006 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1CN1CCCCC1 ZINC000182825798 822373805 /nfs/dbraw/zinc/37/38/05/822373805.db2.gz MSRBXANKMWHZLL-OALUTQOASA-N 1 3 384.568 4.173 20 0 GIADHO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183197076 822439865 /nfs/dbraw/zinc/43/98/65/822439865.db2.gz DFJCVRUEMHKYSK-YYZRRKBYSA-N 1 3 379.589 4.065 20 0 GIADHO CCc1ccccc1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397067 822476838 /nfs/dbraw/zinc/47/68/38/822476838.db2.gz ZHAGUGAOKXOWHK-IBGZPJMESA-N 1 3 394.563 4.210 20 0 GIADHO COc1ccc2cc([C@H](C)NCc3ccnc(OCC[NH+](C)C)c3)ccc2c1 ZINC000179511161 822493637 /nfs/dbraw/zinc/49/36/37/822493637.db2.gz JSCKQTSEGDNDMJ-KRWDZBQOSA-N 1 3 379.504 4.035 20 0 GIADHO CCOCc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510769 /nfs/dbraw/zinc/51/07/69/822510769.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 1 3 382.548 4.186 20 0 GIADHO CCOCc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510771 /nfs/dbraw/zinc/51/07/71/822510771.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 1 3 382.548 4.186 20 0 GIADHO CCOCc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510792 /nfs/dbraw/zinc/51/07/92/822510792.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 1 3 382.548 4.186 20 0 GIADHO CCOCc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510793 /nfs/dbraw/zinc/51/07/93/822510793.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 1 3 382.548 4.186 20 0 GIADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(OCC(F)F)cc3)cc2)CC1 ZINC000569024109 822870666 /nfs/dbraw/zinc/87/06/66/822870666.db2.gz DJNIADVXKGSYGM-UHFFFAOYSA-N 1 3 390.474 4.093 20 0 GIADHO O=C(NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)c1ccsc1 ZINC000411184375 823555332 /nfs/dbraw/zinc/55/53/32/823555332.db2.gz KOVYEBVGXSEYRA-UHFFFAOYSA-N 1 3 397.588 4.128 20 0 GIADHO COc1cc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc(OC)c1 ZINC000061000044 823571841 /nfs/dbraw/zinc/57/18/41/823571841.db2.gz DMBGPOYEILNCEN-OALUTQOASA-N 1 3 382.548 4.472 20 0 GIADHO CC(C)C[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411479107 823579619 /nfs/dbraw/zinc/57/96/19/823579619.db2.gz YWNKTAPOCZGMID-FQEVSTJZSA-N 1 3 379.976 4.006 20 0 GIADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411492902 823581179 /nfs/dbraw/zinc/58/11/79/823581179.db2.gz DOJRGFCOCQNSDJ-ZRCGQRJVSA-N 1 3 383.580 4.150 20 0 GIADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411492902 823581183 /nfs/dbraw/zinc/58/11/83/823581183.db2.gz DOJRGFCOCQNSDJ-ZRCGQRJVSA-N 1 3 383.580 4.150 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517680 823583768 /nfs/dbraw/zinc/58/37/68/823583768.db2.gz NHTFBZJIKQFXOP-ICSRJNTNSA-N 1 3 379.548 4.411 20 0 GIADHO C[C@H](NCCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517680 823583772 /nfs/dbraw/zinc/58/37/72/823583772.db2.gz NHTFBZJIKQFXOP-ICSRJNTNSA-N 1 3 379.548 4.411 20 0 GIADHO COc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2n1 ZINC000124861103 823631919 /nfs/dbraw/zinc/63/19/19/823631919.db2.gz RXBHTGZCZZGOSV-QGZVFWFLSA-N 1 3 379.504 4.035 20 0 GIADHO C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254852 823640420 /nfs/dbraw/zinc/64/04/20/823640420.db2.gz YSMLVUJTCLVOEU-SIKLNZKXSA-N 1 3 383.580 4.055 20 0 GIADHO C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000412254852 823640423 /nfs/dbraw/zinc/64/04/23/823640423.db2.gz YSMLVUJTCLVOEU-SIKLNZKXSA-N 1 3 383.580 4.055 20 0 GIADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743935 823816463 /nfs/dbraw/zinc/81/64/63/823816463.db2.gz HAWKVTQBDIIUHC-FGTMMUONSA-N 1 3 399.362 4.175 20 0 GIADHO COc1ccc([C@@H](CN(C)C)N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877610 823849727 /nfs/dbraw/zinc/84/97/27/823849727.db2.gz QPMFPIIMVHZEEQ-LADGPHEKSA-N 1 3 393.575 4.085 20 0 GIADHO COc1ccc([C@@H](CN(C)C)N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877610 823849733 /nfs/dbraw/zinc/84/97/33/823849733.db2.gz QPMFPIIMVHZEEQ-LADGPHEKSA-N 1 3 393.575 4.085 20 0 GIADHO c1cn(Cc2ccc(-c3ccccc3CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166485092 823878573 /nfs/dbraw/zinc/87/85/73/823878573.db2.gz IUSWJLFPNFSNGM-BJKOFHAPSA-N 1 3 386.543 4.315 20 0 GIADHO c1cn(Cc2ccc(-c3ccccc3CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166485092 823878576 /nfs/dbraw/zinc/87/85/76/823878576.db2.gz IUSWJLFPNFSNGM-BJKOFHAPSA-N 1 3 386.543 4.315 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000126488777 823882010 /nfs/dbraw/zinc/88/20/10/823882010.db2.gz PPAZBZCLVYZLHV-HXUWFJFHSA-N 1 3 389.547 4.350 20 0 GIADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414811189 824038153 /nfs/dbraw/zinc/03/81/53/824038153.db2.gz PBGNCQWMBMNBLH-LLVKDONJSA-N 1 3 379.854 4.183 20 0 GIADHO Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164995038 722207503 /nfs/dbraw/zinc/20/75/03/722207503.db2.gz KLZIBNYATVJCEO-XMMPIXPASA-N 1 3 394.538 4.061 20 0 GIADHO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571466692 823186988 /nfs/dbraw/zinc/18/69/88/823186988.db2.gz DKKBVRCDFBBLKN-RBBKRZOGSA-N 1 3 382.548 4.119 20 0 GIADHO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571466693 823187066 /nfs/dbraw/zinc/18/70/66/823187066.db2.gz DKKBVRCDFBBLKN-UNMCSNQZSA-N 1 3 382.548 4.119 20 0 GIADHO C[C@H]1C[N@H+](CCCN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545047 823198644 /nfs/dbraw/zinc/19/86/44/823198644.db2.gz NURBCKLCEVIHIU-KXBFYZLASA-N 1 3 386.458 4.127 20 0 GIADHO C[C@H]1C[N@@H+](CCCN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545047 823198646 /nfs/dbraw/zinc/19/86/46/823198646.db2.gz NURBCKLCEVIHIU-KXBFYZLASA-N 1 3 386.458 4.127 20 0 GIADHO Clc1ccc([C@H]2CCCCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633870 823212646 /nfs/dbraw/zinc/21/26/46/823212646.db2.gz DIZPRIQSQDXIRB-MOPGFXCFSA-N 1 3 387.959 4.131 20 0 GIADHO CCC[C@@H](CC1CCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460492829 823407048 /nfs/dbraw/zinc/40/70/48/823407048.db2.gz QIEDSSXMVKCXIQ-NRFANRHFSA-N 1 3 377.617 4.050 20 0 GIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000122995159 823445471 /nfs/dbraw/zinc/44/54/71/823445471.db2.gz LNSVZFXQNNWMON-GOSISDBHSA-N 1 3 379.504 4.090 20 0 GIADHO c1c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907274 820706785 /nfs/dbraw/zinc/70/67/85/820706785.db2.gz PKGJVPPETXKEEA-OAQYLSRUSA-N 1 3 386.543 4.172 20 0 GIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008072 823525004 /nfs/dbraw/zinc/52/50/04/823525004.db2.gz XOIOQFFAFMQCEZ-KNQAVFIVSA-N 1 3 383.536 4.101 20 0 GIADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)s1 ZINC000180974558 821566818 /nfs/dbraw/zinc/56/68/18/821566818.db2.gz VQTBQIMSSNGPEU-HNNXBMFYSA-N 1 3 391.968 4.078 20 0 GIADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180975514 821567733 /nfs/dbraw/zinc/56/77/33/821567733.db2.gz VNPNRQOBYBLSAY-JOCHJYFZSA-N 1 3 399.966 4.407 20 0 GIADHO CC(=O)Nc1ccc([C@H](C)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000182121995 822103478 /nfs/dbraw/zinc/10/34/78/822103478.db2.gz BELRUTIFCZEOQW-FHWLQOOXSA-N 1 3 379.548 4.452 20 0 GIADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225058 822155786 /nfs/dbraw/zinc/15/57/86/822155786.db2.gz DIJPIXMNSGGPBE-GGAORHGYSA-N 1 3 382.548 4.201 20 0 GIADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225058 822155793 /nfs/dbraw/zinc/15/57/93/822155793.db2.gz DIJPIXMNSGGPBE-GGAORHGYSA-N 1 3 382.548 4.201 20 0 GIADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242012 822163462 /nfs/dbraw/zinc/16/34/62/822163462.db2.gz GSUFOIDOLJZCMX-ISKFKSNPSA-N 1 3 394.559 4.264 20 0 GIADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242012 822163467 /nfs/dbraw/zinc/16/34/67/822163467.db2.gz GSUFOIDOLJZCMX-ISKFKSNPSA-N 1 3 394.559 4.264 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccc(NC(C)=O)c2)ccc1OC ZINC000182425393 822238810 /nfs/dbraw/zinc/23/88/10/822238810.db2.gz YKRLOJUQYSWUDV-QGZVFWFLSA-N 1 3 383.536 4.346 20 0 GIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178038267 822293453 /nfs/dbraw/zinc/29/34/53/822293453.db2.gz ISPFUIYNMQIZTK-IXDOHACOSA-N 1 3 388.581 4.054 20 0 GIADHO CC(C)C(=O)Nc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178479008 822383410 /nfs/dbraw/zinc/38/34/10/822383410.db2.gz IOMNMKSNSRPUMD-GOSISDBHSA-N 1 3 383.536 4.072 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1CN1CCCCC1 ZINC000183009303 822410641 /nfs/dbraw/zinc/41/06/41/822410641.db2.gz CTHYIOXJHPGRBD-REWPJTCUSA-N 1 3 396.575 4.498 20 0 GIADHO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1CN1CCCCC1 ZINC000183011142 822411126 /nfs/dbraw/zinc/41/11/26/822411126.db2.gz XMQARUXLAQPRND-HTAPYJJXSA-N 1 3 388.577 4.301 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1CN1CCCCC1 ZINC000183387890 822467274 /nfs/dbraw/zinc/46/72/74/822467274.db2.gz YMOKPRQKXAWJJE-SIKLNZKXSA-N 1 3 394.563 4.006 20 0 GIADHO CC(C)c1cnc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000183858882 822537042 /nfs/dbraw/zinc/53/70/42/822537042.db2.gz AVHGYSRUMHSTTN-UHFFFAOYSA-N 1 3 387.593 4.427 20 0 GIADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000047306839 822564082 /nfs/dbraw/zinc/56/40/82/822564082.db2.gz QOIKEEQCDIYHMK-QFIPXVFZSA-N 1 3 399.604 4.159 20 0 GIADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000180180076 822633539 /nfs/dbraw/zinc/63/35/39/822633539.db2.gz YVRNZRQYQDACLP-QHCPKHFHSA-N 1 3 397.538 4.138 20 0 GIADHO CN(CCN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1)Cc1ccccc1 ZINC000185509832 822791923 /nfs/dbraw/zinc/79/19/23/822791923.db2.gz WHKCNLGIBWRCSO-UHFFFAOYSA-N 1 3 397.529 4.105 20 0 GIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186366308 822882629 /nfs/dbraw/zinc/88/26/29/822882629.db2.gz VEENZRXXPGGYKU-UHFFFAOYSA-N 1 3 398.547 4.342 20 0 GIADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411223066 823558502 /nfs/dbraw/zinc/55/85/02/823558502.db2.gz HFGVIEBVPDEPLK-HSZRJFAPSA-N 1 3 399.604 4.148 20 0 GIADHO CCC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000411450774 823575759 /nfs/dbraw/zinc/57/57/59/823575759.db2.gz GNZJJILEQARWOD-IBGZPJMESA-N 1 3 399.501 4.125 20 0 GIADHO CC(C)C[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411479109 823579673 /nfs/dbraw/zinc/57/96/73/823579673.db2.gz YWNKTAPOCZGMID-HXUWFJFHSA-N 1 3 379.976 4.006 20 0 GIADHO C[N@H+](CCOc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962150 823766135 /nfs/dbraw/zinc/76/61/35/823766135.db2.gz SCASHISCQRGZDT-XMMPIXPASA-N 1 3 398.522 4.092 20 0 GIADHO C[N@@H+](CCOc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962150 823766144 /nfs/dbraw/zinc/76/61/44/823766144.db2.gz SCASHISCQRGZDT-XMMPIXPASA-N 1 3 398.522 4.092 20 0 GIADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970225 823766895 /nfs/dbraw/zinc/76/68/95/823766895.db2.gz SDHOVTWWOKTSMI-SFHVURJKSA-N 1 3 386.511 4.166 20 0 GIADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970225 823766902 /nfs/dbraw/zinc/76/69/02/823766902.db2.gz SDHOVTWWOKTSMI-SFHVURJKSA-N 1 3 386.511 4.166 20 0 GIADHO CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000461982756 823781521 /nfs/dbraw/zinc/78/15/21/823781521.db2.gz HMLTXCWMSJNUAB-DEOSSOPVSA-N 1 3 393.575 4.265 20 0 GIADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743936 823816441 /nfs/dbraw/zinc/81/64/41/823816441.db2.gz HAWKVTQBDIIUHC-KZNAEPCWSA-N 1 3 399.362 4.175 20 0 GIADHO CN1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963660 823827232 /nfs/dbraw/zinc/82/72/32/823827232.db2.gz HMHQZGCAAHZEQE-ZJSXRUAMSA-N 1 3 397.632 4.428 20 0 GIADHO CCCN1CCC([NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462111934 823831198 /nfs/dbraw/zinc/83/11/98/823831198.db2.gz NFQUAQPDNICFTE-QFIPXVFZSA-N 1 3 380.511 4.381 20 0 GIADHO COCC[NH+]1CCC(NCc2ccccc2COc2ccccc2Cl)CC1 ZINC000462124501 823837090 /nfs/dbraw/zinc/83/70/90/823837090.db2.gz VLOVMLJFWRBLKW-UHFFFAOYSA-N 1 3 388.939 4.119 20 0 GIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165167139 823837305 /nfs/dbraw/zinc/83/73/05/823837305.db2.gz PSLSQSQGMYHJCY-KRWDZBQOSA-N 1 3 395.547 4.098 20 0 GIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300150 823842647 /nfs/dbraw/zinc/84/26/47/823842647.db2.gz MDVZKDLRZFORBL-QUCCMNQESA-N 1 3 391.559 4.132 20 0 GIADHO CCC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414331732 823959987 /nfs/dbraw/zinc/95/99/87/823959987.db2.gz CZRBDHIXOJNTKP-OAQYLSRUSA-N 1 3 385.577 4.076 20 0 GIADHO Fc1ccc(N2CC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342628 823961759 /nfs/dbraw/zinc/96/17/59/823961759.db2.gz ITUBULANWGMBDZ-KOVSNXQUSA-N 1 3 379.523 4.190 20 0 GIADHO Fc1ccc(N2CC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000414342628 823961766 /nfs/dbraw/zinc/96/17/66/823961766.db2.gz ITUBULANWGMBDZ-KOVSNXQUSA-N 1 3 379.523 4.190 20 0 GIADHO CC(C)CC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccoc1 ZINC000414348210 823962345 /nfs/dbraw/zinc/96/23/45/823962345.db2.gz XKWGMSMIWLAQHD-HSZRJFAPSA-N 1 3 397.563 4.244 20 0 GIADHO CC(C)(C)c1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414557188 824011901 /nfs/dbraw/zinc/01/19/01/824011901.db2.gz POJUCDYEHPBPQU-UHFFFAOYSA-N 1 3 399.604 4.033 20 0 GIADHO C[N@H+](Cc1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995103 722209872 /nfs/dbraw/zinc/20/98/72/722209872.db2.gz LDSKHGLSQKFSJL-DEOSSOPVSA-N 1 3 394.538 4.060 20 0 GIADHO C[N@@H+](Cc1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995103 722209877 /nfs/dbraw/zinc/20/98/77/722209877.db2.gz LDSKHGLSQKFSJL-DEOSSOPVSA-N 1 3 394.538 4.060 20 0 GIADHO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571466691 823187123 /nfs/dbraw/zinc/18/71/23/823187123.db2.gz DKKBVRCDFBBLKN-IRLDBZIGSA-N 1 3 382.548 4.119 20 0 GIADHO CC(C)N1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459471447 823199114 /nfs/dbraw/zinc/19/91/14/823199114.db2.gz TZLSLNKGXBACDU-LEWJYISDSA-N 1 3 379.951 4.219 20 0 GIADHO CN(C)CC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCC1 ZINC000459484615 823201943 /nfs/dbraw/zinc/20/19/43/823201943.db2.gz UGAZJEVSKHKHMA-UHFFFAOYSA-N 1 3 381.568 4.272 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000572132878 823288305 /nfs/dbraw/zinc/28/83/05/823288305.db2.gz QEPRDDVSIVUXPB-XZOQPEGZSA-N 1 3 397.607 4.025 20 0 GIADHO CSCc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000189474787 823425102 /nfs/dbraw/zinc/42/51/02/823425102.db2.gz LWOCJLPEILVGOB-UHFFFAOYSA-N 1 3 383.605 4.370 20 0 GIADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475788 823471489 /nfs/dbraw/zinc/47/14/89/823471489.db2.gz YJIACTFZVIZABQ-YKSBVNFPSA-N 1 3 391.559 4.065 20 0 GIADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177475788 823471492 /nfs/dbraw/zinc/47/14/92/823471492.db2.gz YJIACTFZVIZABQ-YKSBVNFPSA-N 1 3 391.559 4.065 20 0 GIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3c2cc(Br)cc3F)c1 ZINC000123608907 823525279 /nfs/dbraw/zinc/52/52/79/823525279.db2.gz FECKQLOIXRHHLE-IBGZPJMESA-N 1 3 377.301 4.427 20 0 GIADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000180975314 821567263 /nfs/dbraw/zinc/56/72/63/821567263.db2.gz KLQLSMMSJJWSDL-HSZRJFAPSA-N 1 3 391.559 4.024 20 0 GIADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180974885 821567395 /nfs/dbraw/zinc/56/73/95/821567395.db2.gz PFLIINVHONSZRV-QGZVFWFLSA-N 1 3 385.939 4.016 20 0 GIADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180974868 821567424 /nfs/dbraw/zinc/56/74/24/821567424.db2.gz PFLIINVHONSZRV-KRWDZBQOSA-N 1 3 385.939 4.016 20 0 GIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180976730 821568454 /nfs/dbraw/zinc/56/84/54/821568454.db2.gz WIIAWUNKMNJDOT-AUSIDOKSSA-N 1 3 391.559 4.159 20 0 GIADHO C[C@@H](NCc1ccccc1N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181266631 821725107 /nfs/dbraw/zinc/72/51/07/821725107.db2.gz YDVTXWCPFYDSLW-HXUWFJFHSA-N 1 3 381.564 4.468 20 0 GIADHO COCCc1nc(C)c([C@@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000181373328 821793813 /nfs/dbraw/zinc/79/38/13/821793813.db2.gz DUOMMRCHOCHPMC-QGZVFWFLSA-N 1 3 387.593 4.477 20 0 GIADHO COCCc1nc(C)c([C@@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405355 821809193 /nfs/dbraw/zinc/80/91/93/821809193.db2.gz WZHAQZKWQXTDBU-NVXWUHKLSA-N 1 3 393.622 4.265 20 0 GIADHO COCCc1nc(C)c([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405355 821809204 /nfs/dbraw/zinc/80/92/04/821809204.db2.gz WZHAQZKWQXTDBU-NVXWUHKLSA-N 1 3 393.622 4.265 20 0 GIADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000181413035 821812597 /nfs/dbraw/zinc/81/25/97/821812597.db2.gz GXVRYYNACCCZGJ-FEHORTKBSA-N 1 3 387.593 4.146 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc3c(c2)OCCO3)ccc1OC ZINC000182216391 822152045 /nfs/dbraw/zinc/15/20/45/822152045.db2.gz JNRQYFIHEJEANM-QGZVFWFLSA-N 1 3 384.520 4.159 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc3c(c2)OCCO3)ccc1OC ZINC000182216406 822152116 /nfs/dbraw/zinc/15/21/16/822152116.db2.gz JNRQYFIHEJEANM-KRWDZBQOSA-N 1 3 384.520 4.159 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264021 822177422 /nfs/dbraw/zinc/17/74/22/822177422.db2.gz IGMFTPOAFXUJBK-BEFAXECRSA-N 1 3 394.437 4.003 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264021 822177426 /nfs/dbraw/zinc/17/74/26/822177426.db2.gz IGMFTPOAFXUJBK-BEFAXECRSA-N 1 3 394.437 4.003 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)ccc1OC ZINC000183006485 822410088 /nfs/dbraw/zinc/41/00/88/822410088.db2.gz NPLNYOLWHBVMFS-HRAATJIYSA-N 1 3 376.566 4.157 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1CN1CCCCC1 ZINC000183011160 822411110 /nfs/dbraw/zinc/41/11/10/822411110.db2.gz XMQARUXLAQPRND-VGOFRKELSA-N 1 3 388.577 4.301 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc([S@](C)=O)cc2)ccc1OC ZINC000183320771 822458740 /nfs/dbraw/zinc/45/87/40/822458740.db2.gz JNMGUYFEZDGJFQ-CRYYWNKWSA-N 1 3 388.577 4.125 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1OC ZINC000183354990 822462769 /nfs/dbraw/zinc/46/27/69/822462769.db2.gz ZGCWNOPEGHEXJD-UCNVEGJOSA-N 1 3 392.609 4.242 20 0 GIADHO Fc1ccc([C@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000183739626 822519933 /nfs/dbraw/zinc/51/99/33/822519933.db2.gz ZHPGMWVTAJVWRF-HSZRJFAPSA-N 1 3 376.479 4.211 20 0 GIADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455836253 822734269 /nfs/dbraw/zinc/73/42/69/822734269.db2.gz AVAWOKXJQIQUSF-YSSFQJQWSA-N 1 3 384.524 4.079 20 0 GIADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CN1Cc1ccccc1 ZINC000455939947 822753771 /nfs/dbraw/zinc/75/37/71/822753771.db2.gz UAOZBFDLQCKKIZ-FRGLQRNOSA-N 1 3 392.547 4.020 20 0 GIADHO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000174598256 822810176 /nfs/dbraw/zinc/81/01/76/822810176.db2.gz LFBQSLCCYFVOKT-IHWFROFDSA-N 1 3 386.971 4.307 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC2)CC1 ZINC000569017938 822870273 /nfs/dbraw/zinc/87/02/73/822870273.db2.gz YLOANGOGKQIVFM-NRFANRHFSA-N 1 3 379.633 4.150 20 0 GIADHO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1[O-] ZINC000186966790 822988927 /nfs/dbraw/zinc/98/89/27/822988927.db2.gz NLFQWVFSQAKUTH-CQSZACIVSA-N 1 3 377.326 4.376 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c(C)c(C)c(C)c(C)c3C)CC2)CC1 ZINC000570105291 823006287 /nfs/dbraw/zinc/00/62/87/823006287.db2.gz XRQNLBLMOPRXRD-UHFFFAOYSA-N 1 3 399.623 4.041 20 0 GIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908740 823550886 /nfs/dbraw/zinc/55/08/86/823550886.db2.gz WSGZYUYMFOWGDW-KRWDZBQOSA-N 1 3 380.536 4.273 20 0 GIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908740 823550888 /nfs/dbraw/zinc/55/08/88/823550888.db2.gz WSGZYUYMFOWGDW-KRWDZBQOSA-N 1 3 380.536 4.273 20 0 GIADHO CCN(Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000411224560 823558651 /nfs/dbraw/zinc/55/86/51/823558651.db2.gz LFIPRJDMIDFZCO-UHFFFAOYSA-N 1 3 393.575 4.396 20 0 GIADHO CCC[NH+]1CCC(N(C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411310195 823563965 /nfs/dbraw/zinc/56/39/65/823563965.db2.gz UEIODPSYSXTGGD-HSZRJFAPSA-N 1 3 399.604 4.150 20 0 GIADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061012144 823572672 /nfs/dbraw/zinc/57/26/72/823572672.db2.gz KRHZMYLVGSNQTQ-UHFFFAOYSA-N 1 3 382.577 4.337 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517681 823583795 /nfs/dbraw/zinc/58/37/95/823583795.db2.gz NHTFBZJIKQFXOP-QUCCMNQESA-N 1 3 379.548 4.411 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517681 823583798 /nfs/dbraw/zinc/58/37/98/823583798.db2.gz NHTFBZJIKQFXOP-QUCCMNQESA-N 1 3 379.548 4.411 20 0 GIADHO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnn1C(C)C ZINC000191268612 823665598 /nfs/dbraw/zinc/66/55/98/823665598.db2.gz KKLKIMUHFDFHER-DLBZAZTESA-N 1 3 387.547 4.075 20 0 GIADHO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)c1 ZINC000125498646 823681050 /nfs/dbraw/zinc/68/10/50/823681050.db2.gz MGZJNQYUDLBNAL-NRFANRHFSA-N 1 3 396.535 4.038 20 0 GIADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000574581138 823771532 /nfs/dbraw/zinc/77/15/32/823771532.db2.gz BBWFHTZTSIXALF-GOSISDBHSA-N 1 3 397.563 4.149 20 0 GIADHO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000461977480 823779479 /nfs/dbraw/zinc/77/94/79/823779479.db2.gz NWWKKWXQKFOXBU-HSZRJFAPSA-N 1 3 385.596 4.010 20 0 GIADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000164190326 823784853 /nfs/dbraw/zinc/78/48/53/823784853.db2.gz RFVWVTCYOKPIJH-HXUWFJFHSA-N 1 3 389.547 4.494 20 0 GIADHO Cc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)c(OCC[NH+](C)C)c1 ZINC000413497319 823787663 /nfs/dbraw/zinc/78/76/63/823787663.db2.gz WBIZDKUQGUJKBN-UHFFFAOYSA-N 1 3 395.547 4.174 20 0 GIADHO CCN1CCC([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113585 823832401 /nfs/dbraw/zinc/83/24/01/823832401.db2.gz TXZJOQITIGZSBF-FXAWDEMLSA-N 1 3 383.502 4.162 20 0 GIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335047 823844449 /nfs/dbraw/zinc/84/44/49/823844449.db2.gz XWLPFEQIRJURHB-IRLDBZIGSA-N 1 3 391.559 4.029 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000065140433 823949827 /nfs/dbraw/zinc/94/98/27/823949827.db2.gz VUEHYKGJTCBKQA-CVDCTZTESA-N 1 3 379.548 4.094 20 0 GIADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000414303011 823954067 /nfs/dbraw/zinc/95/40/67/823954067.db2.gz LERCIOJMEZSINJ-QGZVFWFLSA-N 1 3 378.969 4.469 20 0 GIADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805169 824037731 /nfs/dbraw/zinc/03/77/31/824037731.db2.gz AEXVPDDYKJRYOR-AAEUAGOBSA-N 1 3 379.854 4.183 20 0 GIADHO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N(C)C)nc(C)n4)CC3)CC2)cc1 ZINC001164761391 721042218 /nfs/dbraw/zinc/04/22/18/721042218.db2.gz FXWBRNIFLSAYSA-UHFFFAOYSA-N 1 3 393.579 4.042 20 0 GIADHO c1cc2cccc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616326 823062930 /nfs/dbraw/zinc/06/29/30/823062930.db2.gz CDBUWZUTHYOXGL-HSZRJFAPSA-N 1 3 389.543 4.186 20 0 GIADHO c1cc2cccc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616326 823062936 /nfs/dbraw/zinc/06/29/36/823062936.db2.gz CDBUWZUTHYOXGL-HSZRJFAPSA-N 1 3 389.543 4.186 20 0 GIADHO c1cc2cccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616326 823062942 /nfs/dbraw/zinc/06/29/42/823062942.db2.gz CDBUWZUTHYOXGL-HSZRJFAPSA-N 1 3 389.543 4.186 20 0 GIADHO COC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000120934076 823088965 /nfs/dbraw/zinc/08/89/65/823088965.db2.gz QNPMZMGDNPVVCR-LJQANCHMSA-N 1 3 384.417 4.383 20 0 GIADHO COC[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000120934076 823088969 /nfs/dbraw/zinc/08/89/69/823088969.db2.gz QNPMZMGDNPVVCR-LJQANCHMSA-N 1 3 384.417 4.383 20 0 GIADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225948 823142594 /nfs/dbraw/zinc/14/25/94/823142594.db2.gz TZNCJEDZZWGSQP-CVDCTZTESA-N 1 3 394.563 4.265 20 0 GIADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000121225948 823142599 /nfs/dbraw/zinc/14/25/99/823142599.db2.gz TZNCJEDZZWGSQP-CVDCTZTESA-N 1 3 394.563 4.265 20 0 GIADHO Cc1cc(CN2CCSCC2)ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459343885 823166511 /nfs/dbraw/zinc/16/65/11/823166511.db2.gz AIVXKHGFWRAHPL-UHFFFAOYSA-N 1 3 382.577 4.020 20 0 GIADHO COCc1cc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459598705 823227586 /nfs/dbraw/zinc/22/75/86/823227586.db2.gz PZMYDTOAIUWBNN-DEOSSOPVSA-N 1 3 397.563 4.478 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398223 823408201 /nfs/dbraw/zinc/40/82/01/823408201.db2.gz VRFGHJCTRYUMRO-IBGZPJMESA-N 1 3 398.856 4.215 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398223 823408205 /nfs/dbraw/zinc/40/82/05/823408205.db2.gz VRFGHJCTRYUMRO-IBGZPJMESA-N 1 3 398.856 4.215 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)nc21 ZINC000410356300 823472143 /nfs/dbraw/zinc/47/21/43/823472143.db2.gz BHYISUYSCPTPFU-NJDAHSKKSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc21 ZINC000410356300 823472145 /nfs/dbraw/zinc/47/21/45/823472145.db2.gz BHYISUYSCPTPFU-NJDAHSKKSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)nc21 ZINC000410356300 823472148 /nfs/dbraw/zinc/47/21/48/823472148.db2.gz BHYISUYSCPTPFU-NJDAHSKKSA-N 1 3 375.516 4.179 20 0 GIADHO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1Br ZINC000123582364 823523648 /nfs/dbraw/zinc/52/36/48/823523648.db2.gz JCCNXLJQNAKINU-AWEZNQCLSA-N 1 3 377.326 4.370 20 0 GIADHO Cc1cc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)s1 ZINC000180974676 821566713 /nfs/dbraw/zinc/56/67/13/821566713.db2.gz ZAOCAJFDIWOIAU-KRWDZBQOSA-N 1 3 385.577 4.041 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259286 822173127 /nfs/dbraw/zinc/17/31/27/822173127.db2.gz SBKBWHMTQCJFKJ-JXFKEZNVSA-N 1 3 391.342 4.337 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259286 822173130 /nfs/dbraw/zinc/17/31/30/822173130.db2.gz SBKBWHMTQCJFKJ-JXFKEZNVSA-N 1 3 391.342 4.337 20 0 GIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccnc(N3CCCC3)c2)ccc1OC ZINC000182314285 822199710 /nfs/dbraw/zinc/19/97/10/822199710.db2.gz QRDKDLKIWVIYDV-LJQANCHMSA-N 1 3 396.579 4.383 20 0 GIADHO COc1cc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977690 822266560 /nfs/dbraw/zinc/26/65/60/822266560.db2.gz ZZOUCHVTBKKKLA-QGZVFWFLSA-N 1 3 386.536 4.403 20 0 GIADHO COc1cc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977690 822266569 /nfs/dbraw/zinc/26/65/69/822266569.db2.gz ZZOUCHVTBKKKLA-QGZVFWFLSA-N 1 3 386.536 4.403 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1CN1CCCCC1 ZINC000182537018 822289112 /nfs/dbraw/zinc/28/91/12/822289112.db2.gz XJVCLEMDGFAPMM-VGOFRKELSA-N 1 3 386.511 4.204 20 0 GIADHO O=C1Nc2ccccc2C12CCC([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC000178160130 822337230 /nfs/dbraw/zinc/33/72/30/822337230.db2.gz AQMMFSBHBFJPCP-UHFFFAOYSA-N 1 3 381.564 4.063 20 0 GIADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000183029644 822414308 /nfs/dbraw/zinc/41/43/08/822414308.db2.gz ILMCVKWLZDUQDW-ZWKOTPCHSA-N 1 3 398.595 4.313 20 0 GIADHO CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000183137051 822429314 /nfs/dbraw/zinc/42/93/14/822429314.db2.gz LKDNXHJQGJJEGL-QHAWAJNXSA-N 1 3 382.552 4.016 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183226147 822444195 /nfs/dbraw/zinc/44/41/95/822444195.db2.gz AWJHQQHTNCSFEO-HOTGVXAUSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000183226147 822444199 /nfs/dbraw/zinc/44/41/99/822444199.db2.gz AWJHQQHTNCSFEO-HOTGVXAUSA-N 1 3 385.474 4.277 20 0 GIADHO COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000183479715 822482356 /nfs/dbraw/zinc/48/23/56/822482356.db2.gz PKWXQXMPLHLORH-SFHVURJKSA-N 1 3 398.595 4.315 20 0 GIADHO Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C2CC2)cc1 ZINC000180179514 822633569 /nfs/dbraw/zinc/63/35/69/822633569.db2.gz TZHHCVXPJDFHOT-DEOSSOPVSA-N 1 3 391.559 4.062 20 0 GIADHO Cn1cc([C@@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)cn1 ZINC000180235655 822645395 /nfs/dbraw/zinc/64/53/95/822645395.db2.gz PBUCWJYNMOPODS-DEOSSOPVSA-N 1 3 392.522 4.150 20 0 GIADHO COC(=O)c1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000569150285 822884222 /nfs/dbraw/zinc/88/42/22/822884222.db2.gz YUAPSHYIZPNNAT-FAXKSRBJSA-N 1 3 384.545 4.381 20 0 GIADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000569531945 822935389 /nfs/dbraw/zinc/93/53/89/822935389.db2.gz QDCBHEOONYZHAB-UHFFFAOYSA-N 1 3 375.944 4.058 20 0 GIADHO Cc1c(Br)cccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176566 823012447 /nfs/dbraw/zinc/01/24/47/823012447.db2.gz SVSIJISHEUEEPS-ICSRJNTNSA-N 1 3 387.321 4.103 20 0 GIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908993 823550859 /nfs/dbraw/zinc/55/08/59/823550859.db2.gz WSGZYUYMFOWGDW-QGZVFWFLSA-N 1 3 380.536 4.273 20 0 GIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908993 823550863 /nfs/dbraw/zinc/55/08/63/823550863.db2.gz WSGZYUYMFOWGDW-QGZVFWFLSA-N 1 3 380.536 4.273 20 0 GIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123922802 823551955 /nfs/dbraw/zinc/55/19/55/823551955.db2.gz NHHITJKVEVWYSW-IBGZPJMESA-N 1 3 392.547 4.302 20 0 GIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123922802 823551958 /nfs/dbraw/zinc/55/19/58/823551958.db2.gz NHHITJKVEVWYSW-IBGZPJMESA-N 1 3 392.547 4.302 20 0 GIADHO CCCCN(C)C(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411178300 823554679 /nfs/dbraw/zinc/55/46/79/823554679.db2.gz JJUKPPGCJSQXEJ-UHFFFAOYSA-N 1 3 385.596 4.143 20 0 GIADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303833 823563545 /nfs/dbraw/zinc/56/35/45/823563545.db2.gz HNENUMCDVPQNJU-NZQKXSOJSA-N 1 3 393.575 4.087 20 0 GIADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303833 823563546 /nfs/dbraw/zinc/56/35/46/823563546.db2.gz HNENUMCDVPQNJU-NZQKXSOJSA-N 1 3 393.575 4.087 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303835 823563572 /nfs/dbraw/zinc/56/35/72/823563572.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 1 3 393.575 4.087 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303835 823563573 /nfs/dbraw/zinc/56/35/73/823563573.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 1 3 393.575 4.087 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2ccnn2)cc1 ZINC000411487622 823580580 /nfs/dbraw/zinc/58/05/80/823580580.db2.gz WGWXDABWHHECOB-IBGZPJMESA-N 1 3 375.520 4.104 20 0 GIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411697565 823597810 /nfs/dbraw/zinc/59/78/10/823597810.db2.gz WDXOTHKIMZSGGA-NRFANRHFSA-N 1 3 390.531 4.169 20 0 GIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411697565 823597814 /nfs/dbraw/zinc/59/78/14/823597814.db2.gz WDXOTHKIMZSGGA-NRFANRHFSA-N 1 3 390.531 4.169 20 0 GIADHO CC[C@H](C)N[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328623 823646777 /nfs/dbraw/zinc/64/67/77/823646777.db2.gz CKSMTBIXQYIVIJ-GHTZIAJQSA-N 1 3 383.536 4.125 20 0 GIADHO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125196337 823658514 /nfs/dbraw/zinc/65/85/14/823658514.db2.gz NPRKQSRCJLRDTB-RTBURBONSA-N 1 3 375.520 4.144 20 0 GIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000163571646 823723711 /nfs/dbraw/zinc/72/37/11/823723711.db2.gz VJZOHZBVXXXRCA-QGZVFWFLSA-N 1 3 383.536 4.346 20 0 GIADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969969 823766701 /nfs/dbraw/zinc/76/67/01/823766701.db2.gz AYPPOXLGYPDGOL-GOSISDBHSA-N 1 3 386.511 4.166 20 0 GIADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969969 823766712 /nfs/dbraw/zinc/76/67/12/823766712.db2.gz AYPPOXLGYPDGOL-GOSISDBHSA-N 1 3 386.511 4.166 20 0 GIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335162 823844328 /nfs/dbraw/zinc/84/43/28/823844328.db2.gz XWLPFEQIRJURHB-RBBKRZOGSA-N 1 3 391.559 4.029 20 0 GIADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324118 823875401 /nfs/dbraw/zinc/87/54/01/823875401.db2.gz RQOGNSFAOLBTKN-VAMGGRTRSA-N 1 3 383.502 4.305 20 0 GIADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324118 823875405 /nfs/dbraw/zinc/87/54/05/823875405.db2.gz RQOGNSFAOLBTKN-VAMGGRTRSA-N 1 3 383.502 4.305 20 0 GIADHO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007651 823885658 /nfs/dbraw/zinc/88/56/58/823885658.db2.gz JILZHXVVYKZISQ-LAUBAEHRSA-N 1 3 399.604 4.339 20 0 GIADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000575027287 823892421 /nfs/dbraw/zinc/89/24/21/823892421.db2.gz YNDYDZWBAGUASS-INIZCTEOSA-N 1 3 388.353 4.161 20 0 GIADHO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126711575 823932849 /nfs/dbraw/zinc/93/28/49/823932849.db2.gz QKTLGGMIQDMRNH-LSDHHAIUSA-N 1 3 377.454 4.268 20 0 GIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000414814440 824038783 /nfs/dbraw/zinc/03/87/83/824038783.db2.gz VPMQFAPCHZCZRN-LLVKDONJSA-N 1 3 385.252 4.360 20 0 GIADHO C/C(=C/c1ccccc1OC(F)F)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000570612357 823062239 /nfs/dbraw/zinc/06/22/39/823062239.db2.gz YBVIBEILZGNSGJ-VLGSPTGOSA-N 1 3 394.506 4.268 20 0 GIADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121084406 823115432 /nfs/dbraw/zinc/11/54/32/823115432.db2.gz VHBJKJIXQHVJKQ-FQEVSTJZSA-N 1 3 389.547 4.350 20 0 GIADHO C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000571136776 823139304 /nfs/dbraw/zinc/13/93/04/823139304.db2.gz DOTBUAPCPMBSEC-YMSRPXOMSA-N 1 3 388.555 4.243 20 0 GIADHO C[C@@H]1CC[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137468 823139453 /nfs/dbraw/zinc/13/94/53/823139453.db2.gz QKIIVIZGCRMCGN-PBEJRMEISA-N 1 3 397.588 4.174 20 0 GIADHO C[C@@H]1CC[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137468 823139457 /nfs/dbraw/zinc/13/94/57/823139457.db2.gz QKIIVIZGCRMCGN-PBEJRMEISA-N 1 3 397.588 4.174 20 0 GIADHO CCN(CC)[C@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000459381059 823178315 /nfs/dbraw/zinc/17/83/15/823178315.db2.gz CDHIGUNJFMEFEV-HXUWFJFHSA-N 1 3 383.502 4.305 20 0 GIADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000571427861 823181203 /nfs/dbraw/zinc/18/12/03/823181203.db2.gz PYXWPAQAQUQOID-PZUNEJSGSA-N 1 3 394.607 4.250 20 0 GIADHO Clc1ccc(CC[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000459581293 823224934 /nfs/dbraw/zinc/22/49/34/823224934.db2.gz BUCSVKNVTLHKJH-JOCHJYFZSA-N 1 3 398.978 4.401 20 0 GIADHO COCc1cc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459598709 823227487 /nfs/dbraw/zinc/22/74/87/823227487.db2.gz PZMYDTOAIUWBNN-XMMPIXPASA-N 1 3 397.563 4.478 20 0 GIADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000571871566 823248112 /nfs/dbraw/zinc/24/81/12/823248112.db2.gz AKYWVXMDGUCBBP-UHFFFAOYSA-N 1 3 390.641 4.183 20 0 GIADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000571871566 823248115 /nfs/dbraw/zinc/24/81/15/823248115.db2.gz AKYWVXMDGUCBBP-UHFFFAOYSA-N 1 3 390.641 4.183 20 0 GIADHO C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000122440438 823354794 /nfs/dbraw/zinc/35/47/94/823354794.db2.gz WFUXHGRQZNJOML-GOSISDBHSA-N 1 3 395.547 4.216 20 0 GIADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1OCc1ccncc1 ZINC000030631247 820654246 /nfs/dbraw/zinc/65/42/46/820654246.db2.gz JZDACOLEFMGXGX-UHFFFAOYSA-N 1 3 391.515 4.021 20 0 GIADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000189932249 823515313 /nfs/dbraw/zinc/51/53/13/823515313.db2.gz VWBYCPNTEDWRIE-UHFFFAOYSA-N 1 3 383.502 4.090 20 0 GIADHO C[NH+](C)C1CCN(CCN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180711805 821410821 /nfs/dbraw/zinc/41/08/21/821410821.db2.gz SMOSLNPBDFAVMQ-JOCHJYFZSA-N 1 3 389.946 4.184 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000181416612 821814300 /nfs/dbraw/zinc/81/43/00/821814300.db2.gz UVSOWZZBPZAJMV-KYNGSXCRSA-N 1 3 386.458 4.004 20 0 GIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000181416716 821814386 /nfs/dbraw/zinc/81/43/86/821814386.db2.gz LPZZSNPZQWPJKM-BKTGTZMESA-N 1 3 399.348 4.007 20 0 GIADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC000181670475 821935603 /nfs/dbraw/zinc/93/56/03/821935603.db2.gz OBYSNEHARDYMKQ-QFIPXVFZSA-N 1 3 381.564 4.245 20 0 GIADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)oc21 ZINC000181708138 821953058 /nfs/dbraw/zinc/95/30/58/821953058.db2.gz GICGMCXOHJVNMT-QGZVFWFLSA-N 1 3 394.515 4.249 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248664 822167282 /nfs/dbraw/zinc/16/72/82/822167282.db2.gz MQDYODXHAQGREY-DNVCBOLYSA-N 1 3 376.903 4.287 20 0 GIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248664 822167288 /nfs/dbraw/zinc/16/72/88/822167288.db2.gz MQDYODXHAQGREY-DNVCBOLYSA-N 1 3 376.903 4.287 20 0 GIADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268438 822179980 /nfs/dbraw/zinc/17/99/80/822179980.db2.gz TVDKXXPGKKXLKN-YWZLYKJASA-N 1 3 378.438 4.123 20 0 GIADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268438 822179983 /nfs/dbraw/zinc/17/99/83/822179983.db2.gz TVDKXXPGKKXLKN-YWZLYKJASA-N 1 3 378.438 4.123 20 0 GIADHO c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CCO2)c1 ZINC000453407904 822358632 /nfs/dbraw/zinc/35/86/32/822358632.db2.gz DXLINUBPSODCNR-MLBCHFTJSA-N 1 3 382.573 4.468 20 0 GIADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCCO2 ZINC000178253825 822359090 /nfs/dbraw/zinc/35/90/90/822359090.db2.gz ADAVJAVFWXIOTE-SFHVURJKSA-N 1 3 379.342 4.127 20 0 GIADHO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1 ZINC000182944064 822397717 /nfs/dbraw/zinc/39/77/17/822397717.db2.gz UYNVOQPOZTZMEC-JPYJTQIMSA-N 1 3 398.547 4.074 20 0 GIADHO COc1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)cc1CN1CCCCC1 ZINC000183020503 822412363 /nfs/dbraw/zinc/41/23/63/822412363.db2.gz XBNQYNYVZOTZON-IBGZPJMESA-N 1 3 384.568 4.317 20 0 GIADHO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000183029588 822414197 /nfs/dbraw/zinc/41/41/97/822414197.db2.gz ILMCVKWLZDUQDW-MSOLQXFVSA-N 1 3 398.595 4.313 20 0 GIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(SC)CCOCC2)ccc1OC ZINC000183304284 822456025 /nfs/dbraw/zinc/45/60/25/822456025.db2.gz ULRFMPCLDWZFJO-KRWDZBQOSA-N 1 3 380.598 4.100 20 0 GIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000183320818 822458728 /nfs/dbraw/zinc/45/87/28/822458728.db2.gz JNMGUYFEZDGJFQ-CBZJRKILSA-N 1 3 388.577 4.125 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000183479731 822482352 /nfs/dbraw/zinc/48/23/52/822482352.db2.gz PKWXQXMPLHLORH-GOSISDBHSA-N 1 3 398.595 4.315 20 0 GIADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000179511574 822493922 /nfs/dbraw/zinc/49/39/22/822493922.db2.gz YZWBROMNCNKRKU-SFHVURJKSA-N 1 3 392.341 4.025 20 0 GIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636728 /nfs/dbraw/zinc/63/67/28/822636728.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 1 3 376.342 4.159 20 0 GIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636733 /nfs/dbraw/zinc/63/67/33/822636733.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 1 3 376.342 4.159 20 0 GIADHO COc1ccccc1[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000180210604 822640070 /nfs/dbraw/zinc/64/00/70/822640070.db2.gz NYGATGGCMPEQED-QHCPKHFHSA-N 1 3 383.536 4.052 20 0 GIADHO O=C(c1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1)N1CCCC1 ZINC000048563289 822672662 /nfs/dbraw/zinc/67/26/62/822672662.db2.gz XCABXYWVKFIKHU-UHFFFAOYSA-N 1 3 383.580 4.011 20 0 GIADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000180415753 822677845 /nfs/dbraw/zinc/67/78/45/822677845.db2.gz AQXBOWZHBKQBHA-AWEZNQCLSA-N 1 3 396.373 4.019 20 0 GIADHO C[N@@H+]1CCCN(CCCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180466890 822687205 /nfs/dbraw/zinc/68/72/05/822687205.db2.gz DHCORBDJKGATPT-QFIPXVFZSA-N 1 3 389.946 4.186 20 0 GIADHO C[N@H+]1CCCN(CCCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180466890 822687208 /nfs/dbraw/zinc/68/72/08/822687208.db2.gz DHCORBDJKGATPT-QFIPXVFZSA-N 1 3 389.946 4.186 20 0 GIADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000455899047 822744714 /nfs/dbraw/zinc/74/47/14/822744714.db2.gz FIGMIYFFNQXPHL-GOTSBHOMSA-N 1 3 392.547 4.194 20 0 GIADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000455899050 822744723 /nfs/dbraw/zinc/74/47/23/822744723.db2.gz FIGMIYFFNQXPHL-PKTZIBPZSA-N 1 3 392.547 4.194 20 0 GIADHO C[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2Cl)(N2CCCCC2)CC1 ZINC000174364689 822778512 /nfs/dbraw/zinc/77/85/12/822778512.db2.gz KFECUTDFUJUPHT-UHFFFAOYSA-N 1 3 399.366 4.065 20 0 GIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1oc2ccccc2c1CN(C)C ZINC000174541400 822803107 /nfs/dbraw/zinc/80/31/07/822803107.db2.gz MOZCNEYDCSXWMD-UHFFFAOYSA-N 1 3 393.531 4.218 20 0 GIADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000569175160 822888812 /nfs/dbraw/zinc/88/88/12/822888812.db2.gz DKFYRLAFSYRFIY-JOCHJYFZSA-N 1 3 394.563 4.172 20 0 GIADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569175160 822888815 /nfs/dbraw/zinc/88/88/15/822888815.db2.gz DKFYRLAFSYRFIY-JOCHJYFZSA-N 1 3 394.563 4.172 20 0 GIADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000411199589 823556773 /nfs/dbraw/zinc/55/67/73/823556773.db2.gz ZYNWZNIZPBONOR-UHFFFAOYSA-N 1 3 391.559 4.067 20 0 GIADHO CCC[NH+]1CCC(N(C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411310197 823564035 /nfs/dbraw/zinc/56/40/35/823564035.db2.gz UEIODPSYSXTGGD-QHCPKHFHSA-N 1 3 399.604 4.150 20 0 GIADHO C[C@@H]1C[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000411423723 823572586 /nfs/dbraw/zinc/57/25/86/823572586.db2.gz YLQZAIMASBEDDV-FOVJLYNBSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H]1C[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000411423723 823572587 /nfs/dbraw/zinc/57/25/87/823572587.db2.gz YLQZAIMASBEDDV-FOVJLYNBSA-N 1 3 397.994 4.387 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517682 823583639 /nfs/dbraw/zinc/58/36/39/823583639.db2.gz NHTFBZJIKQFXOP-UYAOXDASSA-N 1 3 379.548 4.411 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517682 823583642 /nfs/dbraw/zinc/58/36/42/823583642.db2.gz NHTFBZJIKQFXOP-UYAOXDASSA-N 1 3 379.548 4.411 20 0 GIADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116307 823627423 /nfs/dbraw/zinc/62/74/23/823627423.db2.gz KHSYJXWFDXJKCF-FYYLOGMGSA-N 1 3 397.607 4.399 20 0 GIADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116307 823627426 /nfs/dbraw/zinc/62/74/26/823627426.db2.gz KHSYJXWFDXJKCF-FYYLOGMGSA-N 1 3 397.607 4.399 20 0 GIADHO CC(C)N1CCN(CCC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000191462104 823687961 /nfs/dbraw/zinc/68/79/61/823687961.db2.gz ODZGVDWVIMBGFN-RUZDIDTESA-N 1 3 377.576 4.050 20 0 GIADHO CC(C)N1CCN(CCC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000191462104 823687962 /nfs/dbraw/zinc/68/79/62/823687962.db2.gz ODZGVDWVIMBGFN-RUZDIDTESA-N 1 3 377.576 4.050 20 0 GIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191522256 823694970 /nfs/dbraw/zinc/69/49/70/823694970.db2.gz LEHBSXFJDIQVLV-XUVXKRRUSA-N 1 3 395.385 4.379 20 0 GIADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191522256 823694972 /nfs/dbraw/zinc/69/49/72/823694972.db2.gz LEHBSXFJDIQVLV-XUVXKRRUSA-N 1 3 395.385 4.379 20 0 GIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789631 823711226 /nfs/dbraw/zinc/71/12/26/823711226.db2.gz XYZWTBPROJUIFC-HOTGVXAUSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789631 823711227 /nfs/dbraw/zinc/71/12/27/823711227.db2.gz XYZWTBPROJUIFC-HOTGVXAUSA-N 1 3 385.474 4.133 20 0 GIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789631 823711230 /nfs/dbraw/zinc/71/12/30/823711230.db2.gz XYZWTBPROJUIFC-HOTGVXAUSA-N 1 3 385.474 4.133 20 0 GIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000163948897 823764947 /nfs/dbraw/zinc/76/49/47/823764947.db2.gz USOWAYBFWZGKAZ-LJQANCHMSA-N 1 3 375.520 4.104 20 0 GIADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016095 823766653 /nfs/dbraw/zinc/76/66/53/823766653.db2.gz CWCFIWSJPCPCCC-UTKZUKDTSA-N 1 3 394.625 4.420 20 0 GIADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969881 823766848 /nfs/dbraw/zinc/76/68/48/823766848.db2.gz AYPPOXLGYPDGOL-SFHVURJKSA-N 1 3 386.511 4.166 20 0 GIADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969881 823766853 /nfs/dbraw/zinc/76/68/53/823766853.db2.gz AYPPOXLGYPDGOL-SFHVURJKSA-N 1 3 386.511 4.166 20 0 GIADHO CCC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414331729 823959946 /nfs/dbraw/zinc/95/99/46/823959946.db2.gz CZRBDHIXOJNTKP-NRFANRHFSA-N 1 3 385.577 4.076 20 0 GIADHO C[C@@H]([NH3+])c1ccc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000414807242 824037780 /nfs/dbraw/zinc/03/77/80/824037780.db2.gz CJQZSGPIDVAASS-QGZVFWFLSA-N 1 3 375.520 4.370 20 0 GIADHO C[N@H+](Cc1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995107 722209663 /nfs/dbraw/zinc/20/96/63/722209663.db2.gz LDSKHGLSQKFSJL-XMMPIXPASA-N 1 3 394.538 4.060 20 0 GIADHO C[N@@H+](Cc1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995107 722209667 /nfs/dbraw/zinc/20/96/67/722209667.db2.gz LDSKHGLSQKFSJL-XMMPIXPASA-N 1 3 394.538 4.060 20 0 GIADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849077 823095355 /nfs/dbraw/zinc/09/53/55/823095355.db2.gz SIALWAIVVQDIGL-XMMPIXPASA-N 1 3 396.575 4.240 20 0 GIADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000570849077 823095358 /nfs/dbraw/zinc/09/53/58/823095358.db2.gz SIALWAIVVQDIGL-XMMPIXPASA-N 1 3 396.575 4.240 20 0 GIADHO C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000571136773 823139338 /nfs/dbraw/zinc/13/93/38/823139338.db2.gz DOTBUAPCPMBSEC-GKBBYZSKSA-N 1 3 388.555 4.243 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459392668 823181753 /nfs/dbraw/zinc/18/17/53/823181753.db2.gz LZBWLRHXHJRTBU-FQEVSTJZSA-N 1 3 381.564 4.042 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459392668 823181754 /nfs/dbraw/zinc/18/17/54/823181754.db2.gz LZBWLRHXHJRTBU-FQEVSTJZSA-N 1 3 381.564 4.042 20 0 GIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459393102 823181760 /nfs/dbraw/zinc/18/17/60/823181760.db2.gz LZBWLRHXHJRTBU-HXUWFJFHSA-N 1 3 381.564 4.042 20 0 GIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459393102 823181761 /nfs/dbraw/zinc/18/17/61/823181761.db2.gz LZBWLRHXHJRTBU-HXUWFJFHSA-N 1 3 381.564 4.042 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[N@@H+]1CCCC[C@H]1C ZINC000122722818 823400666 /nfs/dbraw/zinc/40/06/66/823400666.db2.gz LGFKJRXODYWIMC-JKSUJKDBSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[N@H+]1CCCC[C@H]1C ZINC000122722818 823400671 /nfs/dbraw/zinc/40/06/71/823400671.db2.gz LGFKJRXODYWIMC-JKSUJKDBSA-N 1 3 385.474 4.277 20 0 GIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCC[C@H]1C ZINC000122722818 823400674 /nfs/dbraw/zinc/40/06/74/823400674.db2.gz LGFKJRXODYWIMC-JKSUJKDBSA-N 1 3 385.474 4.277 20 0 GIADHO CC(C)[C@@H](CC1CCCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460488923 823406024 /nfs/dbraw/zinc/40/60/24/823406024.db2.gz JEIIZBUJCJURIE-JOCHJYFZSA-N 1 3 391.644 4.296 20 0 GIADHO COc1cccc([C@@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000177288236 823422311 /nfs/dbraw/zinc/42/23/11/823422311.db2.gz QYXIFFKWVNBEKN-LJQANCHMSA-N 1 3 398.547 4.036 20 0 GIADHO COc1cccc([C@@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000177288236 823422314 /nfs/dbraw/zinc/42/23/14/823422314.db2.gz QYXIFFKWVNBEKN-LJQANCHMSA-N 1 3 398.547 4.036 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123012328 823447876 /nfs/dbraw/zinc/44/78/76/823447876.db2.gz ULDMDSLRVZJPEI-KRWDZBQOSA-N 1 3 377.532 4.363 20 0 GIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000123037950 823451426 /nfs/dbraw/zinc/45/14/26/823451426.db2.gz YKPXSKNERYFYCV-IBGZPJMESA-N 1 3 377.532 4.260 20 0 GIADHO C[C@@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000026368991 820091050 /nfs/dbraw/zinc/09/10/50/820091050.db2.gz MIJQWICDYADBFQ-MSOLQXFVSA-N 1 3 399.966 4.160 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)nc21 ZINC000410356303 823472356 /nfs/dbraw/zinc/47/23/56/823472356.db2.gz BHYISUYSCPTPFU-QHAWAJNXSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CCN[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc21 ZINC000410356303 823472362 /nfs/dbraw/zinc/47/23/62/823472362.db2.gz BHYISUYSCPTPFU-QHAWAJNXSA-N 1 3 375.516 4.179 20 0 GIADHO Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)nc21 ZINC000410356303 823472367 /nfs/dbraw/zinc/47/23/67/823472367.db2.gz BHYISUYSCPTPFU-QHAWAJNXSA-N 1 3 375.516 4.179 20 0 GIADHO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000030907127 820706996 /nfs/dbraw/zinc/70/69/96/820706996.db2.gz CBBDWXBHLXBSDI-SFHVURJKSA-N 1 3 390.506 4.252 20 0 GIADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000180974410 821566646 /nfs/dbraw/zinc/56/66/46/821566646.db2.gz XHCCJRJBDBNZDG-DEOSSOPVSA-N 1 3 391.559 4.070 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)on1 ZINC000181134357 821654340 /nfs/dbraw/zinc/65/43/40/821654340.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 1 3 379.504 4.418 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)on1 ZINC000181134357 821654344 /nfs/dbraw/zinc/65/43/44/821654344.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 1 3 379.504 4.418 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)on1 ZINC000181134387 821654392 /nfs/dbraw/zinc/65/43/92/821654392.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 1 3 379.504 4.418 20 0 GIADHO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)on1 ZINC000181134387 821654393 /nfs/dbraw/zinc/65/43/93/821654393.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 1 3 379.504 4.418 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000181405336 821809071 /nfs/dbraw/zinc/80/90/71/821809071.db2.gz WZHAQZKWQXTDBU-RDJZCZTQSA-N 1 3 393.622 4.265 20 0 GIADHO COCCc1nc(C)c([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000181405336 821809083 /nfs/dbraw/zinc/80/90/83/821809083.db2.gz WZHAQZKWQXTDBU-RDJZCZTQSA-N 1 3 393.622 4.265 20 0 GIADHO CC(C)[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Cl)cc1F ZINC000182009306 822061083 /nfs/dbraw/zinc/06/10/83/822061083.db2.gz ZSYYREWCJXMYHS-HXUWFJFHSA-N 1 3 390.934 4.113 20 0 GIADHO CC(C)[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000182109393 822097680 /nfs/dbraw/zinc/09/76/80/822097680.db2.gz FJYJHDRYIKQKFP-QHCPKHFHSA-N 1 3 388.502 4.408 20 0 GIADHO COc1ccc([C@H](C)[NH2+]CCCn2nc(C)cc2C)cc1CN1CCCCC1 ZINC000182220593 822153055 /nfs/dbraw/zinc/15/30/55/822153055.db2.gz RMBCLZXLFCXVMW-FQEVSTJZSA-N 1 3 384.568 4.235 20 0 GIADHO CSc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000182240829 822162532 /nfs/dbraw/zinc/16/25/32/822162532.db2.gz XPJVBDWZJNUTSV-OXQOHEQNSA-N 1 3 388.552 4.355 20 0 GIADHO CSc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000182240829 822162538 /nfs/dbraw/zinc/16/25/38/822162538.db2.gz XPJVBDWZJNUTSV-OXQOHEQNSA-N 1 3 388.552 4.355 20 0 GIADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262481 822176151 /nfs/dbraw/zinc/17/61/51/822176151.db2.gz JKJAVRGBPKBFEN-ICSRJNTNSA-N 1 3 388.964 4.233 20 0 GIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262481 822176155 /nfs/dbraw/zinc/17/61/55/822176155.db2.gz JKJAVRGBPKBFEN-ICSRJNTNSA-N 1 3 388.964 4.233 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1CN1CCCCC1 ZINC000182311959 822199038 /nfs/dbraw/zinc/19/90/38/822199038.db2.gz AWTJYCHERCFVPT-QGZVFWFLSA-N 1 3 396.535 4.023 20 0 GIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000178035116 822292277 /nfs/dbraw/zinc/29/22/77/822292277.db2.gz YYUVYZDESXWKQR-MJBXVCDLSA-N 1 3 375.376 4.051 20 0 GIADHO Cc1oc(-c2cccs2)nc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963436 822400694 /nfs/dbraw/zinc/40/06/94/822400694.db2.gz YCPNPRZLIJYAHJ-UHFFFAOYSA-N 1 3 389.565 4.036 20 0 GIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178800670 822411471 /nfs/dbraw/zinc/41/14/71/822411471.db2.gz GSFBJEJNXNQDKQ-UTKZUKDTSA-N 1 3 390.543 4.299 20 0 GIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1CN1CCCCC1 ZINC000183081097 822422263 /nfs/dbraw/zinc/42/22/63/822422263.db2.gz ULHXEUKICCRSDQ-AUSIDOKSSA-N 1 3 382.548 4.108 20 0 GIADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046007949 822434014 /nfs/dbraw/zinc/43/40/14/822434014.db2.gz UWWJWTRSSBGWCI-IBGZPJMESA-N 1 3 394.563 4.302 20 0 GIADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000046007949 822434015 /nfs/dbraw/zinc/43/40/15/822434015.db2.gz UWWJWTRSSBGWCI-IBGZPJMESA-N 1 3 394.563 4.302 20 0 GIADHO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000183191202 822438753 /nfs/dbraw/zinc/43/87/53/822438753.db2.gz YGBLUOQBJFFECZ-VZZOBAOTSA-N 1 3 381.564 4.062 20 0 GIADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391406 822475841 /nfs/dbraw/zinc/47/58/41/822475841.db2.gz SXPXHLFCVQJQDM-SFHVURJKSA-N 1 3 398.526 4.095 20 0 GIADHO Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179392389 822476172 /nfs/dbraw/zinc/47/61/72/822476172.db2.gz FWAUYRSMKBMEAV-HXUWFJFHSA-N 1 3 394.563 4.264 20 0 GIADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000179395665 822476649 /nfs/dbraw/zinc/47/66/49/822476649.db2.gz QDELUXLFDZEYEQ-UHFFFAOYSA-N 1 3 375.520 4.006 20 0 GIADHO Cc1cc2ncc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)c(C)n2n1 ZINC000179428126 822481164 /nfs/dbraw/zinc/48/11/64/822481164.db2.gz NQKGKXJWFYBHQX-AMZGXZFVSA-N 1 3 389.547 4.192 20 0 GIADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000046671125 822501731 /nfs/dbraw/zinc/50/17/31/822501731.db2.gz WAQBVPCGNRKCJM-HXUWFJFHSA-N 1 3 385.577 4.157 20 0 GIADHO COCCC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000180402836 822676203 /nfs/dbraw/zinc/67/62/03/822676203.db2.gz HUXPEHLITPEVQM-IBGZPJMESA-N 1 3 383.374 4.379 20 0 GIADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCN1Cc1ccccc1 ZINC000455835289 822733900 /nfs/dbraw/zinc/73/39/00/822733900.db2.gz ACFMCGUMDHSOIZ-VSDWSMLSSA-N 1 3 392.547 4.020 20 0 GIADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942354 822754441 /nfs/dbraw/zinc/75/44/41/822754441.db2.gz VDEWURGFHZGDIX-FHZYATBESA-N 1 3 392.547 4.193 20 0 GIADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404705 822785551 /nfs/dbraw/zinc/78/55/51/822785551.db2.gz RKXIXDYMVBREHT-IBGZPJMESA-N 1 3 385.939 4.123 20 0 GIADHO CN(CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404705 822785554 /nfs/dbraw/zinc/78/55/54/822785554.db2.gz RKXIXDYMVBREHT-IBGZPJMESA-N 1 3 385.939 4.123 20 0 GIADHO CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCC(F)(F)F ZINC000174598845 822810248 /nfs/dbraw/zinc/81/02/48/822810248.db2.gz AWOBSAYPAKEDHQ-ALOPSCKCSA-N 1 3 386.458 4.131 20 0 GIADHO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1[O-] ZINC000186966804 822988917 /nfs/dbraw/zinc/98/89/17/822988917.db2.gz NLFQWVFSQAKUTH-AWEZNQCLSA-N 1 3 377.326 4.376 20 0 GIADHO Cc1c(Br)cccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176572 823012505 /nfs/dbraw/zinc/01/25/05/823012505.db2.gz SVSIJISHEUEEPS-UYAOXDASSA-N 1 3 387.321 4.103 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518420 823583634 /nfs/dbraw/zinc/58/36/34/823583634.db2.gz PGROBFCFGCTJJD-HZPDHXFCSA-N 1 3 397.485 4.277 20 0 GIADHO C[C@@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518420 823583635 /nfs/dbraw/zinc/58/36/35/823583635.db2.gz PGROBFCFGCTJJD-HZPDHXFCSA-N 1 3 397.485 4.277 20 0 GIADHO CC(CCN1CCCC[C@H]1c1cc[nH]n1)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000411719337 823599734 /nfs/dbraw/zinc/59/97/34/823599734.db2.gz NMKCPJVZMVFGEO-VXKWHMMOSA-N 1 3 384.572 4.303 20 0 GIADHO CC(CCN1CCCC[C@H]1c1cc[nH]n1)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000411719337 823599741 /nfs/dbraw/zinc/59/97/41/823599741.db2.gz NMKCPJVZMVFGEO-VXKWHMMOSA-N 1 3 384.572 4.303 20 0 GIADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116323 823627607 /nfs/dbraw/zinc/62/76/07/823627607.db2.gz KHSYJXWFDXJKCF-GGAORHGYSA-N 1 3 397.607 4.399 20 0 GIADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412116323 823627611 /nfs/dbraw/zinc/62/76/11/823627611.db2.gz KHSYJXWFDXJKCF-GGAORHGYSA-N 1 3 397.607 4.399 20 0 GIADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(CN4CCCCC4)c3)ccc21 ZINC000412376116 823650751 /nfs/dbraw/zinc/65/07/51/823650751.db2.gz HSMCAJIMOBCSNK-HSZRJFAPSA-N 1 3 377.532 4.474 20 0 GIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000163546739 823720060 /nfs/dbraw/zinc/72/00/60/823720060.db2.gz JHPZNMSDOXIUNS-SFHVURJKSA-N 1 3 381.520 4.336 20 0 GIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000163757671 823745836 /nfs/dbraw/zinc/74/58/36/823745836.db2.gz ZNTOTRCLUQUIKJ-SFHVURJKSA-N 1 3 381.520 4.336 20 0 GIADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164489536 823805057 /nfs/dbraw/zinc/80/50/57/823805057.db2.gz BRSYKZSAKXGUST-HNNXBMFYSA-N 1 3 396.373 4.020 20 0 GIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300262 823842864 /nfs/dbraw/zinc/84/28/64/823842864.db2.gz MDVZKDLRZFORBL-AZUAARDMSA-N 1 3 391.559 4.132 20 0 GIADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414295649 823952925 /nfs/dbraw/zinc/95/29/25/823952925.db2.gz DGOOEDUCTFVZJS-KRWDZBQOSA-N 1 3 387.593 4.253 20 0 GIADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C(F)(F)F ZINC000414427518 823982728 /nfs/dbraw/zinc/98/27/28/823982728.db2.gz JQOZOOFUMQYGFR-FQEVSTJZSA-N 1 3 392.465 4.260 20 0 GIADHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C(F)(F)F ZINC000414427518 823982735 /nfs/dbraw/zinc/98/27/35/823982735.db2.gz JQOZOOFUMQYGFR-FQEVSTJZSA-N 1 3 392.465 4.260 20 0 GIADHO [NH3+]C1(CNC2CCN(Cc3ccccc3Br)CC2)CCCCCC1 ZINC000414860370 824042955 /nfs/dbraw/zinc/04/29/55/824042955.db2.gz PNYKAWJYFADZBA-UHFFFAOYSA-N 1 3 394.401 4.055 20 0 GIADHO NC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCCCC1 ZINC000414860370 824042957 /nfs/dbraw/zinc/04/29/57/824042957.db2.gz PNYKAWJYFADZBA-UHFFFAOYSA-N 1 3 394.401 4.055 20 0 GIADHO