smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1cc(NCCc2cc(O)c(O)cc2O)cc[nH+]1 ZINC001168013040 740610514 /nfs/dbraw/zinc/61/05/14/740610514.db2.gz AUKGBKIZABPJFG-UHFFFAOYSA-N 1 2 320.345 1.878 20 10 DDCDLO O=C(NCCOc1cc[nH+]cc1)c1ccc(O)c(O)c1Cl ZINC001193255127 746031298 /nfs/dbraw/zinc/03/12/98/746031298.db2.gz ONPNLUSRHSLARU-UHFFFAOYSA-N 1 2 308.721 1.955 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)cc1 ZINC001016385243 756979960 /nfs/dbraw/zinc/97/99/60/756979960.db2.gz RDLJKZYCGWZABJ-GFCCVEGCSA-N 1 2 307.329 1.623 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC001016385243 756979966 /nfs/dbraw/zinc/97/99/66/756979966.db2.gz RDLJKZYCGWZABJ-GFCCVEGCSA-N 1 2 307.329 1.623 20 10 DDCDLO O=C(CN1C(=O)CSC1=S)Nc1ccn2cc[nH+]c2c1 ZINC001144841426 772641119 /nfs/dbraw/zinc/64/11/19/772641119.db2.gz GPSOIAWUBPSAKE-UHFFFAOYSA-N 1 2 306.372 1.133 20 10 DDCDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001273304768 849377471 /nfs/dbraw/zinc/37/74/71/849377471.db2.gz QOMPWZVQQITYPF-UHFFFAOYSA-N 1 2 322.380 1.601 20 10 DDCDLO CCN(CC)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276133333 854811790 /nfs/dbraw/zinc/81/17/90/854811790.db2.gz TWQPUKVPPJJQBR-CALCHBBNSA-N 1 2 319.449 1.753 20 10 DDCDLO CCN(CC)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276133333 854811801 /nfs/dbraw/zinc/81/18/01/854811801.db2.gz TWQPUKVPPJJQBR-CALCHBBNSA-N 1 2 319.449 1.753 20 10 DDCDLO CCOC(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140337757 860621437 /nfs/dbraw/zinc/62/14/37/860621437.db2.gz CPSAIDBYCWHBPN-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO O=C1[C@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]2CN1CC1CC1 ZINC001140581609 860657375 /nfs/dbraw/zinc/65/73/75/860657375.db2.gz VGMHOSDXNBRYIK-AAEUAGOBSA-N 1 2 322.355 1.971 20 10 DDCDLO O=C1[C@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]2CN1CC1CC1 ZINC001140581609 860657384 /nfs/dbraw/zinc/65/73/84/860657384.db2.gz VGMHOSDXNBRYIK-AAEUAGOBSA-N 1 2 322.355 1.971 20 10 DDCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)[C@@H]3CC[C@@H]3C2=O)cc1 ZINC001333770777 866999128 /nfs/dbraw/zinc/99/91/28/866999128.db2.gz JHBUITJPSTVWSI-GASCZTMLSA-N 1 2 301.390 1.537 20 10 DDCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)[C@@H]3CC[C@@H]3C2=O)cc1 ZINC001333770777 866999137 /nfs/dbraw/zinc/99/91/37/866999137.db2.gz JHBUITJPSTVWSI-GASCZTMLSA-N 1 2 301.390 1.537 20 10 DDCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335724107 868498720 /nfs/dbraw/zinc/49/87/20/868498720.db2.gz GTNRIJIBNMRXHB-BBRMVZONSA-N 1 2 318.421 1.273 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001203627483 870681535 /nfs/dbraw/zinc/68/15/35/870681535.db2.gz GSUUPQXLYZMLJN-UHFFFAOYSA-N 1 2 304.390 1.988 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001203627483 870681539 /nfs/dbraw/zinc/68/15/39/870681539.db2.gz GSUUPQXLYZMLJN-UHFFFAOYSA-N 1 2 304.390 1.988 20 10 DDCDLO COC(=O)[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC001204104413 870939756 /nfs/dbraw/zinc/93/97/56/870939756.db2.gz RABAQLKQRLMGEE-AWEZNQCLSA-N 1 2 317.744 1.854 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC001319496140 872661464 /nfs/dbraw/zinc/66/14/64/872661464.db2.gz GMYXYTMHFCARPZ-UHFFFAOYSA-N 1 2 303.406 1.486 20 10 DDCDLO COc1ccc(O)c(C[NH+]2CC3(C2)CC[C@@H](C(=O)N(C)C)O3)c1 ZINC001277463329 884745590 /nfs/dbraw/zinc/74/55/90/884745590.db2.gz JEELAMZFVLGLEC-HNNXBMFYSA-N 1 2 320.389 1.222 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC001232270034 886202816 /nfs/dbraw/zinc/20/28/16/886202816.db2.gz QRHPDOGDLQDHOF-LLVKDONJSA-N 1 2 310.781 1.861 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC001232270034 886202833 /nfs/dbraw/zinc/20/28/33/886202833.db2.gz QRHPDOGDLQDHOF-LLVKDONJSA-N 1 2 310.781 1.861 20 10 DDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233755851 887280626 /nfs/dbraw/zinc/28/06/26/887280626.db2.gz ZINYBPAWVRBJFT-QMMMGPOBSA-N 1 2 304.268 1.611 20 10 DDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233755851 887280643 /nfs/dbraw/zinc/28/06/43/887280643.db2.gz ZINYBPAWVRBJFT-QMMMGPOBSA-N 1 2 304.268 1.611 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255523553 896985340 /nfs/dbraw/zinc/98/53/40/896985340.db2.gz CYVUXZSZAHSPTC-OLZOCXBDSA-N 1 2 323.389 1.729 20 10 DDCDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177713859 408692712 /nfs/dbraw/zinc/69/27/12/408692712.db2.gz CSYKCPLODWHCNU-ZDUSSCGKSA-N 1 2 323.412 1.871 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000276583079 408888283 /nfs/dbraw/zinc/88/82/83/408888283.db2.gz LXODXHIQNQZFIO-LLVKDONJSA-N 1 2 324.352 1.031 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278162066 409076690 /nfs/dbraw/zinc/07/66/90/409076690.db2.gz DTSVLWOLKUGZEU-ZDUSSCGKSA-N 1 2 308.334 1.920 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278162066 409076693 /nfs/dbraw/zinc/07/66/93/409076693.db2.gz DTSVLWOLKUGZEU-ZDUSSCGKSA-N 1 2 308.334 1.920 20 10 DDCDLO CN1CCc2cc(CNC(=O)C(C)(C)[NH+]3CCOCC3)ccc21 ZINC000374779168 418562030 /nfs/dbraw/zinc/56/20/30/418562030.db2.gz LJKFGOFXIACHIN-UHFFFAOYSA-N 1 2 317.433 1.406 20 10 DDCDLO COc1cc(O)c(CN2CCc3c([nH+]cn3C)C2)cc1OC ZINC000378336709 418721271 /nfs/dbraw/zinc/72/12/71/418721271.db2.gz ONJICNSTTKZXKF-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCc3c(ncn3C)C2)cc1OC ZINC000378336709 418721273 /nfs/dbraw/zinc/72/12/73/418721273.db2.gz ONJICNSTTKZXKF-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCc3c(ncn3C)C2)cc1OC ZINC000378336709 418721275 /nfs/dbraw/zinc/72/12/75/418721275.db2.gz ONJICNSTTKZXKF-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000368137290 418695462 /nfs/dbraw/zinc/69/54/62/418695462.db2.gz ZCKYBQZEQCYRFT-VIFPVBQESA-N 1 2 309.322 1.019 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCNC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000368137290 418695465 /nfs/dbraw/zinc/69/54/65/418695465.db2.gz ZCKYBQZEQCYRFT-VIFPVBQESA-N 1 2 309.322 1.019 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000378343733 418721573 /nfs/dbraw/zinc/72/15/73/418721573.db2.gz WHNRULJGHMGIQZ-DOMZBBRYSA-N 1 2 310.369 1.654 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000378343733 418721574 /nfs/dbraw/zinc/72/15/74/418721574.db2.gz WHNRULJGHMGIQZ-DOMZBBRYSA-N 1 2 310.369 1.654 20 10 DDCDLO CN1C(=O)[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378440554 418723027 /nfs/dbraw/zinc/72/30/27/418723027.db2.gz BXEABAMNWKNDLA-NSHDSACASA-N 1 2 309.753 1.124 20 10 DDCDLO CN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378440554 418723032 /nfs/dbraw/zinc/72/30/32/418723032.db2.gz BXEABAMNWKNDLA-NSHDSACASA-N 1 2 309.753 1.124 20 10 DDCDLO CC(C)(CNC(=O)NCc1ccccc1O)[NH+]1CCOCC1 ZINC000299510733 535128333 /nfs/dbraw/zinc/12/83/33/535128333.db2.gz NVKSJMAPZNPVQZ-UHFFFAOYSA-N 1 2 307.394 1.302 20 10 DDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000124781515 696745968 /nfs/dbraw/zinc/74/59/68/696745968.db2.gz WIMWLZYVHRPDOM-INIZCTEOSA-N 1 2 322.380 1.800 20 10 DDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000124781515 696745970 /nfs/dbraw/zinc/74/59/70/696745970.db2.gz WIMWLZYVHRPDOM-INIZCTEOSA-N 1 2 322.380 1.800 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN(CC(C)(C)O)CC2)c1O ZINC000129973048 696793489 /nfs/dbraw/zinc/79/34/89/696793489.db2.gz ZFQAPGRRVGOTFT-UHFFFAOYSA-N 1 2 308.422 1.679 20 10 DDCDLO O=C(NCc1ccc(O)c(O)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778917661 698381533 /nfs/dbraw/zinc/38/15/33/698381533.db2.gz GBDSKWBSXYBKMK-UHFFFAOYSA-N 1 2 310.313 1.609 20 10 DDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000779433033 698422941 /nfs/dbraw/zinc/42/29/41/698422941.db2.gz NYFXYNOQRVSZFI-LLVKDONJSA-N 1 2 309.753 1.090 20 10 DDCDLO Cc1cc(Cl)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000779433033 698422945 /nfs/dbraw/zinc/42/29/45/698422945.db2.gz NYFXYNOQRVSZFI-LLVKDONJSA-N 1 2 309.753 1.090 20 10 DDCDLO C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000702627666 699230976 /nfs/dbraw/zinc/23/09/76/699230976.db2.gz FMOQACQTVYGXHG-ZDUSSCGKSA-N 1 2 315.211 1.311 20 10 DDCDLO C[C@H](CC(N)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715757360 699276703 /nfs/dbraw/zinc/27/67/03/699276703.db2.gz GDOCTSHOXUWSCI-ZCFIWIBFSA-N 1 2 305.147 1.647 20 10 DDCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ncnn1C ZINC000788972361 699352200 /nfs/dbraw/zinc/35/22/00/699352200.db2.gz YZEUPEOJBABTKB-LBPRGKRZSA-N 1 2 319.384 1.642 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000816637095 702132219 /nfs/dbraw/zinc/13/22/19/702132219.db2.gz ROUKQFBWAQHDHX-UHFFFAOYSA-N 1 2 302.378 1.497 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000816637095 702132221 /nfs/dbraw/zinc/13/22/21/702132221.db2.gz ROUKQFBWAQHDHX-UHFFFAOYSA-N 1 2 302.378 1.497 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433752 702880978 /nfs/dbraw/zinc/88/09/78/702880978.db2.gz JNTCCEHIRIWWAJ-BDAKNGLRSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433752 702880981 /nfs/dbraw/zinc/88/09/81/702880981.db2.gz JNTCCEHIRIWWAJ-BDAKNGLRSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434526 702881464 /nfs/dbraw/zinc/88/14/64/702881464.db2.gz ZHLVVKGKUAPFEU-ZJUUUORDSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434526 702881467 /nfs/dbraw/zinc/88/14/67/702881467.db2.gz ZHLVVKGKUAPFEU-ZJUUUORDSA-N 1 2 317.744 1.541 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)c2ccnn2C)cc1F ZINC000858177203 704673828 /nfs/dbraw/zinc/67/38/28/704673828.db2.gz JSFKHIPPFDPAJR-ZDUSSCGKSA-N 1 2 310.348 1.588 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867302700 706953022 /nfs/dbraw/zinc/95/30/22/706953022.db2.gz SQAQKMKKFYJGNV-ZRMMWKCHSA-N 1 2 320.389 1.033 20 10 DDCDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000874047596 704926718 /nfs/dbraw/zinc/92/67/18/704926718.db2.gz UVEZIZQARNSULP-UHFFFAOYSA-N 1 2 316.760 1.823 20 10 DDCDLO CCC[N@H+](Cc1ccc(F)c(F)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000877503130 706125452 /nfs/dbraw/zinc/12/54/52/706125452.db2.gz BYPSSAUZJMNQRS-NSHDSACASA-N 1 2 312.316 1.640 20 10 DDCDLO CCC[N@@H+](Cc1ccc(F)c(F)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000877503130 706125453 /nfs/dbraw/zinc/12/54/53/706125453.db2.gz BYPSSAUZJMNQRS-NSHDSACASA-N 1 2 312.316 1.640 20 10 DDCDLO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)CN1CCOCC1 ZINC000883016350 707899364 /nfs/dbraw/zinc/89/93/64/707899364.db2.gz WZZORVMFOMLGGN-LLVKDONJSA-N 1 2 300.349 1.728 20 10 DDCDLO CC[C@H](CO)Nc1cc(NCc2ccc(OC)cc2O)[nH+]cn1 ZINC000893639412 710759619 /nfs/dbraw/zinc/75/96/19/710759619.db2.gz YVLKDOATRJLCRA-GFCCVEGCSA-N 1 2 318.377 1.986 20 10 DDCDLO CC[C@H](CO)Nc1cc(NCc2ccc(OC)cc2O)nc[nH+]1 ZINC000893639412 710759622 /nfs/dbraw/zinc/75/96/22/710759622.db2.gz YVLKDOATRJLCRA-GFCCVEGCSA-N 1 2 318.377 1.986 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894025328 710933079 /nfs/dbraw/zinc/93/30/79/710933079.db2.gz CULKLONUIDSMRX-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894025328 710933084 /nfs/dbraw/zinc/93/30/84/710933084.db2.gz CULKLONUIDSMRX-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO COC(=O)c1c(C[NH+]2CC(C)(CO)C2)c2cc(F)ccc2n1C ZINC000894980502 711348659 /nfs/dbraw/zinc/34/86/59/711348659.db2.gz RVMFWKNUUXBWDY-UHFFFAOYSA-N 1 2 320.364 1.918 20 10 DDCDLO COc1cc[nH+]cc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001176121418 778053738 /nfs/dbraw/zinc/05/37/38/778053738.db2.gz HUKVIROTWYYINM-UHFFFAOYSA-N 1 2 307.375 1.639 20 10 DDCDLO O=c1[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)nc2c1COCC2 ZINC001118927653 781275474 /nfs/dbraw/zinc/27/54/74/781275474.db2.gz ANRWIPXBGCLVFR-UHFFFAOYSA-N 1 2 313.357 1.480 20 10 DDCDLO CN1CC2(C[NH+](Cc3cc4ccccc4cc3O)C2)OCC1=O ZINC001274664214 852498721 /nfs/dbraw/zinc/49/87/21/852498721.db2.gz MALWAIWKASVJAX-UHFFFAOYSA-N 1 2 312.369 1.588 20 10 DDCDLO CC[NH+](CC)CCN1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138122439 860010062 /nfs/dbraw/zinc/01/00/62/860010062.db2.gz FLBKJZLIWSYBHS-UHFFFAOYSA-N 1 2 309.429 1.991 20 10 DDCDLO Cc1c(O)ccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c1O ZINC001140746266 860690297 /nfs/dbraw/zinc/69/02/97/860690297.db2.gz XLESUZPWEMYZLP-UHFFFAOYSA-N 1 2 304.390 1.993 20 10 DDCDLO Cc1c(O)ccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c1O ZINC001140746266 860690302 /nfs/dbraw/zinc/69/03/02/860690302.db2.gz XLESUZPWEMYZLP-UHFFFAOYSA-N 1 2 304.390 1.993 20 10 DDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(N)cc1 ZINC001353321799 877253898 /nfs/dbraw/zinc/25/38/98/877253898.db2.gz AIKFURDYTZSASP-UHFFFAOYSA-N 1 2 306.410 1.179 20 10 DDCDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(N)cc1 ZINC001353321799 877253912 /nfs/dbraw/zinc/25/39/12/877253912.db2.gz AIKFURDYTZSASP-UHFFFAOYSA-N 1 2 306.410 1.179 20 10 DDCDLO COCCN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277490017 885273833 /nfs/dbraw/zinc/27/38/33/885273833.db2.gz ZLXIBBWTHJQEPJ-YVEFUNNKSA-N 1 2 322.380 1.601 20 10 DDCDLO COCCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277490017 885273851 /nfs/dbraw/zinc/27/38/51/885273851.db2.gz ZLXIBBWTHJQEPJ-YVEFUNNKSA-N 1 2 322.380 1.601 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N3CC(F)C3)C2)cc1Cl ZINC001232266252 886199707 /nfs/dbraw/zinc/19/97/07/886199707.db2.gz LASCYXJTYBNENI-UHFFFAOYSA-N 1 2 300.761 1.892 20 10 DDCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233767535 887299981 /nfs/dbraw/zinc/29/99/81/887299981.db2.gz DTYACALTBHSTBP-VIFPVBQESA-N 1 2 318.295 1.953 20 10 DDCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233767535 887299997 /nfs/dbraw/zinc/29/99/97/887299997.db2.gz DTYACALTBHSTBP-VIFPVBQESA-N 1 2 318.295 1.953 20 10 DDCDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000274366496 130229884 /nfs/dbraw/zinc/22/98/84/130229884.db2.gz OUKSMIPKFNQNNE-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000274366496 130229886 /nfs/dbraw/zinc/22/98/86/130229886.db2.gz OUKSMIPKFNQNNE-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)cc1OC ZINC000284462615 131082740 /nfs/dbraw/zinc/08/27/40/131082740.db2.gz VEGSUHJCIMNFJM-QWHCGFSZSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)cc1OC ZINC000284462615 131082741 /nfs/dbraw/zinc/08/27/41/131082741.db2.gz VEGSUHJCIMNFJM-QWHCGFSZSA-N 1 2 324.421 1.296 20 10 DDCDLO COC(=O)CN(Cc1c[nH+]cn1C)Cc1cc(Cl)ccc1O ZINC000177065865 408512026 /nfs/dbraw/zinc/51/20/26/408512026.db2.gz JEHDOAMYYUMHQL-UHFFFAOYSA-N 1 2 323.780 1.954 20 10 DDCDLO COc1c(O)c(C[N@H+](C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000278151388 409073789 /nfs/dbraw/zinc/07/37/89/409073789.db2.gz CIGXOZRRPDYXGJ-UHFFFAOYSA-N 1 2 311.338 1.265 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000278151388 409073793 /nfs/dbraw/zinc/07/37/93/409073793.db2.gz CIGXOZRRPDYXGJ-UHFFFAOYSA-N 1 2 311.338 1.265 20 10 DDCDLO COc1cccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1O ZINC000374817646 418565512 /nfs/dbraw/zinc/56/55/12/418565512.db2.gz ITRHPEJORGZCHP-JTQLQIEISA-N 1 2 304.350 1.103 20 10 DDCDLO COc1ccc(N2CCC([N@H+](C)Cc3nnnn3C)CC2)cc1 ZINC000365717103 418898309 /nfs/dbraw/zinc/89/83/09/418898309.db2.gz OMABOKOSVJABPC-UHFFFAOYSA-N 1 2 316.409 1.320 20 10 DDCDLO COc1ccc(N2CCC([N@@H+](C)Cc3nnnn3C)CC2)cc1 ZINC000365717103 418898312 /nfs/dbraw/zinc/89/83/12/418898312.db2.gz OMABOKOSVJABPC-UHFFFAOYSA-N 1 2 316.409 1.320 20 10 DDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000294949550 287861895 /nfs/dbraw/zinc/86/18/95/287861895.db2.gz CXFUYIGRQJYVGA-SNVBAGLBSA-N 1 2 306.815 1.463 20 10 DDCDLO CNC(=O)Cc1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775837487 698042884 /nfs/dbraw/zinc/04/28/84/698042884.db2.gz SXCOQMJYRORTGM-NSHDSACASA-N 1 2 317.393 1.275 20 10 DDCDLO C[C@H]1C[N@H+](CCOC(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000800188208 700199655 /nfs/dbraw/zinc/19/96/55/700199655.db2.gz WGGVWHOUZXHEMY-FHMRSRPSSA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@H]1C[N@@H+](CCOC(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000800188208 700199656 /nfs/dbraw/zinc/19/96/56/700199656.db2.gz WGGVWHOUZXHEMY-FHMRSRPSSA-N 1 2 307.346 1.375 20 10 DDCDLO OCC[NH+]1CCN(Cc2cccc(Br)c2O)CC1 ZINC000305208569 698641246 /nfs/dbraw/zinc/64/12/46/698641246.db2.gz OWTZZZDYHMDUIU-UHFFFAOYSA-N 1 2 315.211 1.265 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000781911424 698660544 /nfs/dbraw/zinc/66/05/44/698660544.db2.gz MKBPEBQQAOVWQU-PHIMTYICSA-N 1 2 302.168 1.001 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000781911424 698660545 /nfs/dbraw/zinc/66/05/45/698660545.db2.gz MKBPEBQQAOVWQU-PHIMTYICSA-N 1 2 302.168 1.001 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000396840874 699113131 /nfs/dbraw/zinc/11/31/31/699113131.db2.gz GAXLHIVGPPUGKE-BXUZGUMPSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000396840874 699113132 /nfs/dbraw/zinc/11/31/32/699113132.db2.gz GAXLHIVGPPUGKE-BXUZGUMPSA-N 1 2 313.781 1.423 20 10 DDCDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(Br)cc1O ZINC000787029817 699186604 /nfs/dbraw/zinc/18/66/04/699186604.db2.gz HYQWUWVULADTQW-ZETCQYMHSA-N 1 2 312.171 1.529 20 10 DDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000729615089 699483559 /nfs/dbraw/zinc/48/35/59/699483559.db2.gz WXINUDCYOMJABJ-ZDUSSCGKSA-N 1 2 307.394 1.254 20 10 DDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000729615089 699483560 /nfs/dbraw/zinc/48/35/60/699483560.db2.gz WXINUDCYOMJABJ-ZDUSSCGKSA-N 1 2 307.394 1.254 20 10 DDCDLO C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458388 700622599 /nfs/dbraw/zinc/62/25/99/700622599.db2.gz MKHBLNXAXIRGGV-ZYHUDNBSSA-N 1 2 300.349 1.778 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868055399 701916404 /nfs/dbraw/zinc/91/64/04/701916404.db2.gz JCUUITIYIBFCDT-OLZOCXBDSA-N 1 2 307.394 1.473 20 10 DDCDLO Cn1c[nH+]cc1CNC(=O)NCCCSc1nccs1 ZINC000812154298 702115459 /nfs/dbraw/zinc/11/54/59/702115459.db2.gz QVGAIVZHVHEIPU-UHFFFAOYSA-N 1 2 311.436 1.858 20 10 DDCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C[NH3+])C1 ZINC000843120259 702823132 /nfs/dbraw/zinc/82/31/32/702823132.db2.gz BJPHMGAVGCWNHV-NSHDSACASA-N 1 2 314.773 1.029 20 10 DDCDLO C[N@H+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C[NH3+])C1 ZINC000843120259 702823135 /nfs/dbraw/zinc/82/31/35/702823135.db2.gz BJPHMGAVGCWNHV-NSHDSACASA-N 1 2 314.773 1.029 20 10 DDCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C[NH3+])C1 ZINC000843120258 702823151 /nfs/dbraw/zinc/82/31/51/702823151.db2.gz BJPHMGAVGCWNHV-LLVKDONJSA-N 1 2 314.773 1.029 20 10 DDCDLO C[N@H+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C[NH3+])C1 ZINC000843120258 702823154 /nfs/dbraw/zinc/82/31/54/702823154.db2.gz BJPHMGAVGCWNHV-LLVKDONJSA-N 1 2 314.773 1.029 20 10 DDCDLO COCCOCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000846116794 703239465 /nfs/dbraw/zinc/23/94/65/703239465.db2.gz JVKWTKWTCXYAAC-UHFFFAOYSA-N 1 2 312.385 1.312 20 10 DDCDLO COCCOCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000846116794 703239467 /nfs/dbraw/zinc/23/94/67/703239467.db2.gz JVKWTKWTCXYAAC-UHFFFAOYSA-N 1 2 312.385 1.312 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1 ZINC000855223403 704473918 /nfs/dbraw/zinc/47/39/18/704473918.db2.gz GPDSBOIXXOOFAH-ZDUSSCGKSA-N 1 2 314.389 1.664 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1Cl ZINC000824877484 705550239 /nfs/dbraw/zinc/55/02/39/705550239.db2.gz QSQZDWBSGSQASS-NSHDSACASA-N 1 2 312.797 1.379 20 10 DDCDLO C[C@H]1C[N@H+](CCO)CCN1Cc1c(O)ccc(Cl)c1F ZINC000825336988 705648869 /nfs/dbraw/zinc/64/88/69/705648869.db2.gz BVSTXLQKIXOUJP-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H]1C[N@@H+](CCO)CCN1Cc1c(O)ccc(Cl)c1F ZINC000825336988 705648873 /nfs/dbraw/zinc/64/88/73/705648873.db2.gz BVSTXLQKIXOUJP-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO OCCO[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000826943036 705896046 /nfs/dbraw/zinc/89/60/46/705896046.db2.gz UGJMAXBCIAPMGT-AWEZNQCLSA-N 1 2 301.770 1.303 20 10 DDCDLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](Cc1ccccc1O)C2 ZINC000827769307 706064881 /nfs/dbraw/zinc/06/48/81/706064881.db2.gz HXPLPOKMWBLESR-UHFFFAOYSA-N 1 2 324.427 1.659 20 10 DDCDLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](Cc1ccccc1O)C2 ZINC000827769307 706064882 /nfs/dbraw/zinc/06/48/82/706064882.db2.gz HXPLPOKMWBLESR-UHFFFAOYSA-N 1 2 324.427 1.659 20 10 DDCDLO CS(=O)(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CCC1 ZINC000877488900 706121265 /nfs/dbraw/zinc/12/12/65/706121265.db2.gz PMLAOVXGHYLFRK-UHFFFAOYSA-N 1 2 305.346 1.727 20 10 DDCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](CO)C1 ZINC000877644777 706168064 /nfs/dbraw/zinc/16/80/64/706168064.db2.gz TYTDCVUVGYIRIV-LLVKDONJSA-N 1 2 305.205 1.807 20 10 DDCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](CO)C1 ZINC000877644777 706168065 /nfs/dbraw/zinc/16/80/65/706168065.db2.gz TYTDCVUVGYIRIV-LLVKDONJSA-N 1 2 305.205 1.807 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CCN([S@@](C)(=N)=O)CC2)c1 ZINC000877791406 706215891 /nfs/dbraw/zinc/21/58/91/706215891.db2.gz DKOMZVKGFMCVDK-OAQYLSRUSA-N 1 2 313.423 1.500 20 10 DDCDLO CC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(F)cc1O ZINC000883305351 707973344 /nfs/dbraw/zinc/97/33/44/707973344.db2.gz UXIJAVPYVINPII-NSHDSACASA-N 1 2 319.340 1.107 20 10 DDCDLO Nc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000911661287 710912476 /nfs/dbraw/zinc/91/24/76/710912476.db2.gz UDWLXNIKYQPNDD-CABCVRRESA-N 1 2 305.378 1.087 20 10 DDCDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894427897 711116968 /nfs/dbraw/zinc/11/69/68/711116968.db2.gz WCHDJVXBMDQZBY-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894427897 711116971 /nfs/dbraw/zinc/11/69/71/711116971.db2.gz WCHDJVXBMDQZBY-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1N=NC(=O)N1C ZINC000895176274 711443634 /nfs/dbraw/zinc/44/36/34/711443634.db2.gz NGVVFDVWXTYUMO-LURJTMIESA-N 1 2 300.721 1.870 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895703311 711582810 /nfs/dbraw/zinc/58/28/10/711582810.db2.gz KSFISWKMDMVWAK-ZDUSSCGKSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895703311 711582813 /nfs/dbraw/zinc/58/28/13/711582813.db2.gz KSFISWKMDMVWAK-ZDUSSCGKSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895845558 711623990 /nfs/dbraw/zinc/62/39/90/711623990.db2.gz ZLROKOTZJWHCDC-NSHDSACASA-N 1 2 313.348 1.961 20 10 DDCDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895845558 711623992 /nfs/dbraw/zinc/62/39/92/711623992.db2.gz ZLROKOTZJWHCDC-NSHDSACASA-N 1 2 313.348 1.961 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(C)C(=O)C1 ZINC001139129371 860297664 /nfs/dbraw/zinc/29/76/64/860297664.db2.gz XIOVXTYIJOUJRB-UHFFFAOYSA-N 1 2 316.357 1.471 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(C)C(=O)C1 ZINC001139129371 860297675 /nfs/dbraw/zinc/29/76/75/860297675.db2.gz XIOVXTYIJOUJRB-UHFFFAOYSA-N 1 2 316.357 1.471 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(Cl)c1 ZINC001140925213 860733100 /nfs/dbraw/zinc/73/31/00/860733100.db2.gz PPKOOMMJWNTFNW-CQSZACIVSA-N 1 2 323.824 1.449 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c(Cl)c1 ZINC001140925213 860733104 /nfs/dbraw/zinc/73/31/04/860733104.db2.gz PPKOOMMJWNTFNW-CQSZACIVSA-N 1 2 323.824 1.449 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c(OC)c1 ZINC001141029567 860766473 /nfs/dbraw/zinc/76/64/73/860766473.db2.gz WBIWGQJGSMNWRT-LLVKDONJSA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c(OC)c1 ZINC001141029567 860766478 /nfs/dbraw/zinc/76/64/78/860766478.db2.gz WBIWGQJGSMNWRT-LLVKDONJSA-N 1 2 306.362 1.216 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CC(=O)N4CCC[C@H]4C3)ccc21 ZINC001141144037 860795527 /nfs/dbraw/zinc/79/55/27/860795527.db2.gz UQBRYYIHWZKHBQ-AWEZNQCLSA-N 1 2 301.390 1.322 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CC(=O)N4CCC[C@H]4C3)ccc21 ZINC001141144037 860795532 /nfs/dbraw/zinc/79/55/32/860795532.db2.gz UQBRYYIHWZKHBQ-AWEZNQCLSA-N 1 2 301.390 1.322 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C2)cc1 ZINC001342197433 872063911 /nfs/dbraw/zinc/06/39/11/872063911.db2.gz HVZIPJYJTBFMGZ-MFKMUULPSA-N 1 2 313.348 1.373 20 10 DDCDLO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccccc1O ZINC001352218553 876652159 /nfs/dbraw/zinc/65/21/59/876652159.db2.gz DHHPKKFYWACAHD-UONOGXRCSA-N 1 2 320.437 1.388 20 10 DDCDLO O=C(NCc1cc(Cl)c2cccnc2c1O)C1(F)C[NH2+]C1 ZINC001220212658 878825348 /nfs/dbraw/zinc/82/53/48/878825348.db2.gz RHWQTTSSHHRAHL-UHFFFAOYSA-N 1 2 309.728 1.522 20 10 DDCDLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263106 886196666 /nfs/dbraw/zinc/19/66/66/886196666.db2.gz HCFUHTRDZOEQSH-LBPRGKRZSA-N 1 2 323.780 1.715 20 10 DDCDLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263106 886196673 /nfs/dbraw/zinc/19/66/73/886196673.db2.gz HCFUHTRDZOEQSH-LBPRGKRZSA-N 1 2 323.780 1.715 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)c(OC)cc2O)CCO1 ZINC001232269337 886199968 /nfs/dbraw/zinc/19/99/68/886199968.db2.gz WHESXWQREFHWSJ-NSHDSACASA-N 1 2 301.770 1.901 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)c(OC)cc2O)CCO1 ZINC001232269337 886199977 /nfs/dbraw/zinc/19/99/77/886199977.db2.gz WHESXWQREFHWSJ-NSHDSACASA-N 1 2 301.770 1.901 20 10 DDCDLO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(O)C(F)(F)F ZINC001233010902 886720743 /nfs/dbraw/zinc/72/07/43/886720743.db2.gz WXPXQHAICPHSAL-SDBXPKJASA-N 1 2 321.295 1.939 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(O)C(F)(F)F ZINC001233010902 886720755 /nfs/dbraw/zinc/72/07/55/886720755.db2.gz WXPXQHAICPHSAL-SDBXPKJASA-N 1 2 321.295 1.939 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC(=O)N1 ZINC001233728723 887252389 /nfs/dbraw/zinc/25/23/89/887252389.db2.gz ZMJRIBFCOWWTDX-MRVPVSSYSA-N 1 2 304.268 1.611 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC(=O)N1 ZINC001233728723 887252403 /nfs/dbraw/zinc/25/24/03/887252403.db2.gz ZMJRIBFCOWWTDX-MRVPVSSYSA-N 1 2 304.268 1.611 20 10 DDCDLO OC[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237077448 889494334 /nfs/dbraw/zinc/49/43/34/889494334.db2.gz IBZIIUWIYBUVMW-PELKAZGASA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237077448 889494348 /nfs/dbraw/zinc/49/43/48/889494348.db2.gz IBZIIUWIYBUVMW-PELKAZGASA-N 1 2 306.189 1.874 20 10 DDCDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237668869 889793083 /nfs/dbraw/zinc/79/30/83/889793083.db2.gz HFEBMWMKYBEJLR-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237668869 889793101 /nfs/dbraw/zinc/79/31/01/889793101.db2.gz HFEBMWMKYBEJLR-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(F)c(F)c1O ZINC000191201315 299278337 /nfs/dbraw/zinc/27/83/37/299278337.db2.gz PGLIUEBFZVDABP-VIFPVBQESA-N 1 2 314.332 1.603 20 10 DDCDLO CC(C)OCCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093586777 193269082 /nfs/dbraw/zinc/26/90/82/193269082.db2.gz DRLMMEDHXGATCM-UHFFFAOYSA-N 1 2 322.405 1.664 20 10 DDCDLO C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604611 130144498 /nfs/dbraw/zinc/14/44/98/130144498.db2.gz SUZDQYQEPHWLAD-YPMHNXCESA-N 1 2 308.382 1.197 20 10 DDCDLO C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604611 130144501 /nfs/dbraw/zinc/14/45/01/130144501.db2.gz SUZDQYQEPHWLAD-YPMHNXCESA-N 1 2 308.382 1.197 20 10 DDCDLO CC(C)[C@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCOCC1 ZINC000186847917 407786000 /nfs/dbraw/zinc/78/60/00/407786000.db2.gz YPSHDSHIVCVMIY-ZDUSSCGKSA-N 1 2 308.378 1.184 20 10 DDCDLO CN1CCCc2cc(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)ccc21 ZINC000368492438 418720699 /nfs/dbraw/zinc/72/06/99/418720699.db2.gz BTMJUEYIDOMOEM-CYBMUJFWSA-N 1 2 309.360 1.682 20 10 DDCDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761490 418899474 /nfs/dbraw/zinc/89/94/74/418899474.db2.gz ZHXCRSSWMJWLPX-QWHCGFSZSA-N 1 2 319.357 1.691 20 10 DDCDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761490 418899477 /nfs/dbraw/zinc/89/94/77/418899477.db2.gz ZHXCRSSWMJWLPX-QWHCGFSZSA-N 1 2 319.357 1.691 20 10 DDCDLO COc1cc([N+](=O)[O-])c(N2CCn3c[nH+]cc3C2)cc1OC ZINC000290593200 277389162 /nfs/dbraw/zinc/38/91/62/277389162.db2.gz DDPYLWVQLCLJFR-UHFFFAOYSA-N 1 2 304.306 1.829 20 10 DDCDLO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cn1cc[nH+]c1 ZINC000181111431 524367070 /nfs/dbraw/zinc/36/70/70/524367070.db2.gz OHDLSUVAEITVAI-OGOUPESXSA-N 1 2 301.346 1.760 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000283560212 536675919 /nfs/dbraw/zinc/67/59/19/536675919.db2.gz IUBYWGBSRZUXLD-FARCUNLSSA-N 1 2 312.373 1.780 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000773887207 697818816 /nfs/dbraw/zinc/81/88/16/697818816.db2.gz DNBSIEBSRBHYFD-CVEARBPZSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000773887207 697818823 /nfs/dbraw/zinc/81/88/23/697818823.db2.gz DNBSIEBSRBHYFD-CVEARBPZSA-N 1 2 306.406 1.641 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281327606 698543158 /nfs/dbraw/zinc/54/31/58/698543158.db2.gz JGJRELCQPXUWIJ-YGRLFVJLSA-N 1 2 322.336 1.664 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281327606 698543160 /nfs/dbraw/zinc/54/31/60/698543160.db2.gz JGJRELCQPXUWIJ-YGRLFVJLSA-N 1 2 322.336 1.664 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c1O ZINC000313693624 698683770 /nfs/dbraw/zinc/68/37/70/698683770.db2.gz JSUOXQISXBRRGU-HNNXBMFYSA-N 1 2 313.781 1.567 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(CO)C2)c1O ZINC000313693624 698683772 /nfs/dbraw/zinc/68/37/72/698683772.db2.gz JSUOXQISXBRRGU-HNNXBMFYSA-N 1 2 313.781 1.567 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000396840875 699113523 /nfs/dbraw/zinc/11/35/23/699113523.db2.gz GAXLHIVGPPUGKE-FZMZJTMJSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000396840875 699113524 /nfs/dbraw/zinc/11/35/24/699113524.db2.gz GAXLHIVGPPUGKE-FZMZJTMJSA-N 1 2 313.781 1.423 20 10 DDCDLO C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000702627664 699231222 /nfs/dbraw/zinc/23/12/22/699231222.db2.gz FMOQACQTVYGXHG-CYBMUJFWSA-N 1 2 315.211 1.311 20 10 DDCDLO CC(C)NC(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745920 699276536 /nfs/dbraw/zinc/27/65/36/699276536.db2.gz RTLIWUCRLXPORT-UHFFFAOYSA-N 1 2 319.174 1.908 20 10 DDCDLO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCNC(=O)C2)c1O ZINC000732460651 699560553 /nfs/dbraw/zinc/56/05/53/699560553.db2.gz CBBVIKXNMQKXNM-UHFFFAOYSA-N 1 2 314.341 1.264 20 10 DDCDLO COC(=O)c1cc2ccccc2c(C[N@H+]2CCNC(=O)C2)c1O ZINC000732460651 699560554 /nfs/dbraw/zinc/56/05/54/699560554.db2.gz CBBVIKXNMQKXNM-UHFFFAOYSA-N 1 2 314.341 1.264 20 10 DDCDLO C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458387 700622438 /nfs/dbraw/zinc/62/24/38/700622438.db2.gz MKHBLNXAXIRGGV-PWSUYJOCSA-N 1 2 300.349 1.778 20 10 DDCDLO CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)[NH+]1CCCC1 ZINC000805614244 701400449 /nfs/dbraw/zinc/40/04/49/701400449.db2.gz MNPPSQSUVBLPJZ-UHFFFAOYSA-N 1 2 307.346 1.698 20 10 DDCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000840965789 702296045 /nfs/dbraw/zinc/29/60/45/702296045.db2.gz MEULIFCMFDCYBH-UHFFFAOYSA-N 1 2 307.774 1.852 20 10 DDCDLO CC1(C)C[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000813331933 702328675 /nfs/dbraw/zinc/32/86/75/702328675.db2.gz SEBZXKJRYQVQMV-QFIPXVFZSA-N 1 2 322.474 1.866 20 10 DDCDLO CC1(C)C[S@@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000813331933 702328683 /nfs/dbraw/zinc/32/86/83/702328683.db2.gz SEBZXKJRYQVQMV-QFIPXVFZSA-N 1 2 322.474 1.866 20 10 DDCDLO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000846189769 703248837 /nfs/dbraw/zinc/24/88/37/703248837.db2.gz SCAOOFLCCMOZPE-PSASIEDQSA-N 1 2 320.361 1.355 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000855227029 704474166 /nfs/dbraw/zinc/47/41/66/704474166.db2.gz STPUXHKYHAGLRN-LBPRGKRZSA-N 1 2 300.362 1.356 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)cc1 ZINC000879949010 706830299 /nfs/dbraw/zinc/83/02/99/706830299.db2.gz POHBEPDSCNKOIX-OAQYLSRUSA-N 1 2 310.467 1.852 20 10 DDCDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C)c(O)c1O ZINC000874707189 705141171 /nfs/dbraw/zinc/14/11/71/705141171.db2.gz HDJGWDDSHRJUCI-GFCCVEGCSA-N 1 2 308.378 1.247 20 10 DDCDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C)c(O)c1O ZINC000874707189 705141172 /nfs/dbraw/zinc/14/11/72/705141172.db2.gz HDJGWDDSHRJUCI-GFCCVEGCSA-N 1 2 308.378 1.247 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@@H](C(=O)OC)C1 ZINC000877183769 706009728 /nfs/dbraw/zinc/00/97/28/706009728.db2.gz HXJSQBCJGLAURY-TZMCWYRMSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)[C@@H](C(=O)OC)C1 ZINC000877183769 706009730 /nfs/dbraw/zinc/00/97/30/706009730.db2.gz HXJSQBCJGLAURY-TZMCWYRMSA-N 1 2 321.373 1.627 20 10 DDCDLO Oc1ccc(F)cc1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000877704043 706182684 /nfs/dbraw/zinc/18/26/84/706182684.db2.gz XWOKABIGQZKNQP-UHFFFAOYSA-N 1 2 316.380 1.682 20 10 DDCDLO CN(C)c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864575182 706199797 /nfs/dbraw/zinc/19/97/97/706199797.db2.gz LRGWXBCNCDHSRZ-ARJAWSKDSA-N 1 2 303.406 1.257 20 10 DDCDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893720242 710795637 /nfs/dbraw/zinc/79/56/37/710795637.db2.gz XTNDNSDCEABAHN-ZDUSSCGKSA-N 1 2 322.405 1.852 20 10 DDCDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893720242 710795640 /nfs/dbraw/zinc/79/56/40/710795640.db2.gz XTNDNSDCEABAHN-ZDUSSCGKSA-N 1 2 322.405 1.852 20 10 DDCDLO O=C(CN1C(=O)CSC1=S)Nc1cccc2[nH+]ccn21 ZINC001144834359 772638425 /nfs/dbraw/zinc/63/84/25/772638425.db2.gz BOWCRIHNISPSNE-UHFFFAOYSA-N 1 2 306.372 1.133 20 10 DDCDLO O=C(c1ccc(O)c(O)c1)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270037272 842247904 /nfs/dbraw/zinc/24/79/04/842247904.db2.gz IOMIFTHGEZLNTO-UHFFFAOYSA-N 1 2 313.357 1.384 20 10 DDCDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275914234 853936409 /nfs/dbraw/zinc/93/64/09/853936409.db2.gz YYADZWYXDUGDAW-UHFFFAOYSA-N 1 2 307.369 1.909 20 10 DDCDLO O=C(c1ccncc1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161310 860799629 /nfs/dbraw/zinc/79/96/29/860799629.db2.gz DICSCVUTAWSDKW-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@@H](N)C3)cc2)CC1 ZINC001206668832 865172778 /nfs/dbraw/zinc/17/27/78/865172778.db2.gz VTIJWKJYMQBWAU-INIZCTEOSA-N 1 2 324.419 1.607 20 10 DDCDLO COc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)cc(O)c1O ZINC001204345210 871066450 /nfs/dbraw/zinc/06/64/50/871066450.db2.gz OKNUVDKIZWFNTE-ZDUSSCGKSA-N 1 2 308.378 1.013 20 10 DDCDLO COc1ccc(O)c(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC001346542150 873795870 /nfs/dbraw/zinc/79/58/70/873795870.db2.gz ZLOZTBOVBZVGFT-ZDUSSCGKSA-N 1 2 304.350 1.660 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCc3onc(C(N)=O)c3C2)cc1 ZINC001276958576 881293115 /nfs/dbraw/zinc/29/31/15/881293115.db2.gz PVFVJOYKTNTRRK-UHFFFAOYSA-N 1 2 300.362 1.398 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCc3onc(C(N)=O)c3C2)cc1 ZINC001276958576 881293129 /nfs/dbraw/zinc/29/31/29/881293129.db2.gz PVFVJOYKTNTRRK-UHFFFAOYSA-N 1 2 300.362 1.398 20 10 DDCDLO CN(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233079416 886777029 /nfs/dbraw/zinc/77/70/29/886777029.db2.gz BANMDAHTUBVYSQ-UHFFFAOYSA-N 1 2 313.348 1.906 20 10 DDCDLO CSc1ncc2c(n1)C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233486156 887019617 /nfs/dbraw/zinc/01/96/17/887019617.db2.gz ARTNHIASOBCOGE-UHFFFAOYSA-N 1 2 319.386 1.874 20 10 DDCDLO CSc1ncc2c(n1)C[N@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233486156 887019625 /nfs/dbraw/zinc/01/96/25/887019625.db2.gz ARTNHIASOBCOGE-UHFFFAOYSA-N 1 2 319.386 1.874 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001290005375 913329004 /nfs/dbraw/zinc/32/90/04/913329004.db2.gz CKMFMTGGQQWMLD-LBPRGKRZSA-N 1 2 306.362 1.035 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CCCO1 ZINC001237941110 889949411 /nfs/dbraw/zinc/94/94/11/889949411.db2.gz PVVKXQHGOFGYDM-ZDUSSCGKSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CCCO1 ZINC001237941110 889949417 /nfs/dbraw/zinc/94/94/17/889949417.db2.gz PVVKXQHGOFGYDM-ZDUSSCGKSA-N 1 2 317.744 1.949 20 10 DDCDLO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncn(C)n1 ZINC001262010389 899895965 /nfs/dbraw/zinc/89/59/65/899895965.db2.gz DGCIQMBOWRKSQS-ZDUSSCGKSA-N 1 2 315.421 1.627 20 10 DDCDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncn(C)n1 ZINC001262010388 899896061 /nfs/dbraw/zinc/89/60/61/899896061.db2.gz DGCIQMBOWRKSQS-CYBMUJFWSA-N 1 2 315.421 1.627 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288465999 285136799 /nfs/dbraw/zinc/13/67/99/285136799.db2.gz FGCNWFQQTAADJC-BBRMVZONSA-N 1 2 316.313 1.885 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272233334 130010138 /nfs/dbraw/zinc/01/01/38/130010138.db2.gz FFXTUEGKMYXOLH-CQSZACIVSA-N 1 2 308.353 1.355 20 10 DDCDLO COCCc1noc(C[N@H+](C)Cc2cccc(OC)c2O)n1 ZINC000093587396 407198060 /nfs/dbraw/zinc/19/80/60/407198060.db2.gz UOPWEWZMCRONPA-UHFFFAOYSA-N 1 2 307.350 1.605 20 10 DDCDLO COCCc1noc(C[N@@H+](C)Cc2cccc(OC)c2O)n1 ZINC000093587396 407198062 /nfs/dbraw/zinc/19/80/62/407198062.db2.gz UOPWEWZMCRONPA-UHFFFAOYSA-N 1 2 307.350 1.605 20 10 DDCDLO Cc1ccc(O)c(C[N@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC000093530588 407198394 /nfs/dbraw/zinc/19/83/94/407198394.db2.gz QGTAXHAPZNINDU-UHFFFAOYSA-N 1 2 300.362 1.283 20 10 DDCDLO Cc1ccc(O)c(C[N@@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC000093530588 407198397 /nfs/dbraw/zinc/19/83/97/407198397.db2.gz QGTAXHAPZNINDU-UHFFFAOYSA-N 1 2 300.362 1.283 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c1 ZINC000271170341 407552644 /nfs/dbraw/zinc/55/26/44/407552644.db2.gz HJDOSRPVSWDECY-CQSZACIVSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c1 ZINC000271170341 407552651 /nfs/dbraw/zinc/55/26/51/407552651.db2.gz HJDOSRPVSWDECY-CQSZACIVSA-N 1 2 309.362 1.555 20 10 DDCDLO CCCOc1ccc(C[N@H+](C)CCS(C)(=O)=O)c(O)c1 ZINC000156087451 408236640 /nfs/dbraw/zinc/23/66/40/408236640.db2.gz PXXPIRSZPHVTKI-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CCCOc1ccc(C[N@@H+](C)CCS(C)(=O)=O)c(O)c1 ZINC000156087451 408236646 /nfs/dbraw/zinc/23/66/46/408236646.db2.gz PXXPIRSZPHVTKI-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278138239 409071740 /nfs/dbraw/zinc/07/17/40/409071740.db2.gz AMHHHLUVEUKARS-GFCCVEGCSA-N 1 2 323.349 1.410 20 10 DDCDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278138239 409071741 /nfs/dbraw/zinc/07/17/41/409071741.db2.gz AMHHHLUVEUKARS-GFCCVEGCSA-N 1 2 323.349 1.410 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000293667577 409157562 /nfs/dbraw/zinc/15/75/62/409157562.db2.gz OMAJAUYVGCZEMU-UHFFFAOYSA-N 1 2 316.405 1.805 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000293667577 409157564 /nfs/dbraw/zinc/15/75/64/409157564.db2.gz OMAJAUYVGCZEMU-UHFFFAOYSA-N 1 2 316.405 1.805 20 10 DDCDLO Cn1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000290235211 409329307 /nfs/dbraw/zinc/32/93/07/409329307.db2.gz YVQGVFISFLNCRS-UHFFFAOYSA-N 1 2 305.357 1.081 20 10 DDCDLO Cc1cccc(C[NH+]2CC(S(=O)(=O)NC3CCCC3)C2)c1O ZINC000367819280 418638898 /nfs/dbraw/zinc/63/88/98/418638898.db2.gz BMQGGRKQZMSUBN-UHFFFAOYSA-N 1 2 324.446 1.747 20 10 DDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000371471490 418793579 /nfs/dbraw/zinc/79/35/79/418793579.db2.gz UVNZDYWDUCAUCX-LBPRGKRZSA-N 1 2 323.780 1.432 20 10 DDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(C)(C)O)CC2)cc1 ZINC000372912087 418913824 /nfs/dbraw/zinc/91/38/24/418913824.db2.gz XUUMZEYHCOPYIA-UHFFFAOYSA-N 1 2 306.406 1.893 20 10 DDCDLO Cn1ccc(N2CC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)n1 ZINC000362032389 294352497 /nfs/dbraw/zinc/35/24/97/294352497.db2.gz LQZBSEKQQDJJCX-LBPRGKRZSA-N 1 2 320.780 1.674 20 10 DDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184700751 521151441 /nfs/dbraw/zinc/15/14/41/521151441.db2.gz NOIVLBDLGJDCGI-UHFFFAOYSA-N 1 2 321.826 1.921 20 10 DDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184700751 521151444 /nfs/dbraw/zinc/15/14/44/521151444.db2.gz NOIVLBDLGJDCGI-UHFFFAOYSA-N 1 2 321.826 1.921 20 10 DDCDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180334152 525214343 /nfs/dbraw/zinc/21/43/43/525214343.db2.gz NDEQVMUYZYEVBW-JTQLQIEISA-N 1 2 304.799 1.169 20 10 DDCDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180334152 525214344 /nfs/dbraw/zinc/21/43/44/525214344.db2.gz NDEQVMUYZYEVBW-JTQLQIEISA-N 1 2 304.799 1.169 20 10 DDCDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000115741216 696666176 /nfs/dbraw/zinc/66/61/76/696666176.db2.gz QYEDVZNKXVNTEB-MRXNPFEDSA-N 1 2 319.449 1.822 20 10 DDCDLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000115741216 696666178 /nfs/dbraw/zinc/66/61/78/696666178.db2.gz QYEDVZNKXVNTEB-MRXNPFEDSA-N 1 2 319.449 1.822 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000128493243 696779698 /nfs/dbraw/zinc/77/96/98/696779698.db2.gz IWKAPZJUJHNBNI-QGZVFWFLSA-N 1 2 317.433 1.576 20 10 DDCDLO O=C(C[NH2+]Cc1cc(Br)cc(F)c1O)NC1CC1 ZINC000715818690 699277371 /nfs/dbraw/zinc/27/73/71/699277371.db2.gz PWCCZLAWXXRIHF-UHFFFAOYSA-N 1 2 317.158 1.662 20 10 DDCDLO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000759096190 700736982 /nfs/dbraw/zinc/73/69/82/700736982.db2.gz XABLMGTYBQOLGF-LBPRGKRZSA-N 1 2 311.451 1.457 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)cc1 ZINC000815119097 701804202 /nfs/dbraw/zinc/80/42/02/701804202.db2.gz YIDKTEZJLFNBRJ-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCOC[C@H]2CC(=O)OC)cc1 ZINC000815119097 701804204 /nfs/dbraw/zinc/80/42/04/701804204.db2.gz YIDKTEZJLFNBRJ-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000816591621 702120948 /nfs/dbraw/zinc/12/09/48/702120948.db2.gz JGJKNGLMZGTDDS-UHFFFAOYSA-N 1 2 312.732 1.596 20 10 DDCDLO CCOC(=O)/C(=C/c1c[nH+]c(N(C)C)n1C)c1nccn1C ZINC000840718133 702218955 /nfs/dbraw/zinc/21/89/55/702218955.db2.gz LZDFKXZZYVJSCW-FMIVXFBMSA-N 1 2 303.366 1.323 20 10 DDCDLO Cc1cc(N(C)C)ccc1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000840909132 702276126 /nfs/dbraw/zinc/27/61/26/702276126.db2.gz ASPXRJTVDFLKFC-UHFFFAOYSA-N 1 2 311.451 1.138 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1 ZINC000855223402 704473929 /nfs/dbraw/zinc/47/39/29/704473929.db2.gz GPDSBOIXXOOFAH-CYBMUJFWSA-N 1 2 314.389 1.664 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862475299 705721324 /nfs/dbraw/zinc/72/13/24/705721324.db2.gz GOHHGRNNVXKFAY-AWEZNQCLSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862475299 705721328 /nfs/dbraw/zinc/72/13/28/705721328.db2.gz GOHHGRNNVXKFAY-AWEZNQCLSA-N 1 2 317.744 1.949 20 10 DDCDLO O=CN1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000827877960 706080853 /nfs/dbraw/zinc/08/08/53/706080853.db2.gz WILSJIXDALTQDS-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO O=CN1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000827877960 706080856 /nfs/dbraw/zinc/08/08/56/706080856.db2.gz WILSJIXDALTQDS-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(F)c(F)c2O)n1 ZINC000877661268 706173030 /nfs/dbraw/zinc/17/30/30/706173030.db2.gz ZQJZNIGIRUBNJH-GXFFZTMASA-N 1 2 311.288 1.982 20 10 DDCDLO CN(C)c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1F ZINC000865051732 706336474 /nfs/dbraw/zinc/33/64/74/706336474.db2.gz UCTDXMOOTWCMAH-ONEGZZNKSA-N 1 2 321.396 1.396 20 10 DDCDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc(O)c2O)CC1 ZINC000837136303 707583646 /nfs/dbraw/zinc/58/36/46/707583646.db2.gz ZWSAQFGRBKIRIJ-UHFFFAOYSA-N 1 2 321.421 1.244 20 10 DDCDLO COc1cc(C)cc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)c1O ZINC000872797571 707605665 /nfs/dbraw/zinc/60/56/65/707605665.db2.gz OSLMHIUMSABZCI-OAQYLSRUSA-N 1 2 313.423 1.418 20 10 DDCDLO COc1cc(C)cc(C[NH+]2CCN([S@](C)(=N)=O)CC2)c1O ZINC000872797570 707605779 /nfs/dbraw/zinc/60/57/79/707605779.db2.gz OSLMHIUMSABZCI-NRFANRHFSA-N 1 2 313.423 1.418 20 10 DDCDLO COCCNC(=O)C1([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000839193967 708034888 /nfs/dbraw/zinc/03/48/88/708034888.db2.gz YPYZOSKSQDVWLW-UHFFFAOYSA-N 1 2 316.760 1.570 20 10 DDCDLO O=C1NC(=O)C2(C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)N1 ZINC000897908128 708489246 /nfs/dbraw/zinc/48/92/46/708489246.db2.gz QPASZKRNULUPBK-UHFFFAOYSA-N 1 2 314.389 1.071 20 10 DDCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000898214623 708575263 /nfs/dbraw/zinc/57/52/63/708575263.db2.gz FZQLXRKEDOFXAC-ONGXEEELSA-N 1 2 303.811 1.958 20 10 DDCDLO CCn1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449444 708643626 /nfs/dbraw/zinc/64/36/26/708643626.db2.gz FUIWNEYMTONPJC-QGZVFWFLSA-N 1 2 316.453 1.757 20 10 DDCDLO COc1cc(C)cc(C[NH2+][C@H](C(N)=O)c2ccccn2)c1O ZINC000894869873 711303038 /nfs/dbraw/zinc/30/30/38/711303038.db2.gz GOKSMXSJIODDBV-AWEZNQCLSA-N 1 2 301.346 1.420 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894939825 711329595 /nfs/dbraw/zinc/32/95/95/711329595.db2.gz JSQSOLRUQJCQBZ-GFCCVEGCSA-N 1 2 313.348 1.906 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894939825 711329597 /nfs/dbraw/zinc/32/95/97/711329597.db2.gz JSQSOLRUQJCQBZ-GFCCVEGCSA-N 1 2 313.348 1.906 20 10 DDCDLO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000895770557 711601374 /nfs/dbraw/zinc/60/13/74/711601374.db2.gz GRFSJYWEEYHERH-ZDUSSCGKSA-N 1 2 310.781 1.430 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(C)CC)CC2)cc1 ZINC001116418295 780507261 /nfs/dbraw/zinc/50/72/61/780507261.db2.gz VYRRHTCPHQNIOQ-UHFFFAOYSA-N 1 2 305.422 1.686 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1O ZINC001235300238 846406323 /nfs/dbraw/zinc/40/63/23/846406323.db2.gz WIEWAWNLLIIMPG-LDYMZIIASA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1O ZINC001235300238 846406330 /nfs/dbraw/zinc/40/63/30/846406330.db2.gz WIEWAWNLLIIMPG-LDYMZIIASA-N 1 2 320.158 1.079 20 10 DDCDLO CC(=O)OC1C[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336997 860062053 /nfs/dbraw/zinc/06/20/53/860062053.db2.gz IUWCQJNKSHMWDN-UHFFFAOYSA-N 1 2 316.401 1.838 20 10 DDCDLO Cc1cccc(CNc2cc(N3CCOCC3)nc[nH+]2)c1O ZINC001160765159 866106124 /nfs/dbraw/zinc/10/61/24/866106124.db2.gz VHBXEPPMINTJLN-UHFFFAOYSA-N 1 2 300.362 1.939 20 10 DDCDLO Cc1cccc(CNc2cc(N3CCOCC3)[nH+]cn2)c1O ZINC001160765159 866106128 /nfs/dbraw/zinc/10/61/28/866106128.db2.gz VHBXEPPMINTJLN-UHFFFAOYSA-N 1 2 300.362 1.939 20 10 DDCDLO COc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001204342208 871060274 /nfs/dbraw/zinc/06/02/74/871060274.db2.gz JOVXMMCNFCMVIP-GFCCVEGCSA-N 1 2 307.268 1.606 20 10 DDCDLO COc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001204342208 871060297 /nfs/dbraw/zinc/06/02/97/871060297.db2.gz JOVXMMCNFCMVIP-GFCCVEGCSA-N 1 2 307.268 1.606 20 10 DDCDLO Nc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC001343568216 872674243 /nfs/dbraw/zinc/67/42/43/872674243.db2.gz XSCIWMRGRJRRRW-MRXNPFEDSA-N 1 2 303.406 1.528 20 10 DDCDLO Nc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC001343568216 872674246 /nfs/dbraw/zinc/67/42/46/872674246.db2.gz XSCIWMRGRJRRRW-MRXNPFEDSA-N 1 2 303.406 1.528 20 10 DDCDLO COc1cccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC001346503095 873778624 /nfs/dbraw/zinc/77/86/24/873778624.db2.gz CHJULQYLHDXQTM-GFCCVEGCSA-N 1 2 304.350 1.660 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C[C@H]([NH3+])C(F)F)CC2)cc1 ZINC001353431326 877326034 /nfs/dbraw/zinc/32/60/34/877326034.db2.gz BJBGAHBNVVLNGX-ZDUSSCGKSA-N 1 2 313.348 1.326 20 10 DDCDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)CCN1CC(N)=O ZINC001231912765 885940387 /nfs/dbraw/zinc/94/03/87/885940387.db2.gz YECWIDBKQVURAE-UHFFFAOYSA-N 1 2 311.813 1.427 20 10 DDCDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)CCN1CC(N)=O ZINC001231912765 885940406 /nfs/dbraw/zinc/94/04/06/885940406.db2.gz YECWIDBKQVURAE-UHFFFAOYSA-N 1 2 311.813 1.427 20 10 DDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031847 886741412 /nfs/dbraw/zinc/74/14/12/886741412.db2.gz OWSPYWJUELOHDR-SSDOTTSWSA-N 1 2 317.158 1.601 20 10 DDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031847 886741421 /nfs/dbraw/zinc/74/14/21/886741421.db2.gz OWSPYWJUELOHDR-SSDOTTSWSA-N 1 2 317.158 1.601 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccccc1O ZINC001261875730 899803552 /nfs/dbraw/zinc/80/35/52/899803552.db2.gz PGOBZGDSYLXGQF-QWHCGFSZSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccccc1O ZINC001261875730 899803561 /nfs/dbraw/zinc/80/35/61/899803561.db2.gz PGOBZGDSYLXGQF-QWHCGFSZSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273411891 296116018 /nfs/dbraw/zinc/11/60/18/296116018.db2.gz PWCYMCLDLNUDOX-SSDOTTSWSA-N 1 2 321.255 1.630 20 10 DDCDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378443182 285175842 /nfs/dbraw/zinc/17/58/42/285175842.db2.gz QVNRHKLXVZAEKZ-GFCCVEGCSA-N 1 2 323.780 1.514 20 10 DDCDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378443182 285175843 /nfs/dbraw/zinc/17/58/43/285175843.db2.gz QVNRHKLXVZAEKZ-GFCCVEGCSA-N 1 2 323.780 1.514 20 10 DDCDLO OC[C@H]1CCCN1C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000361064818 285290483 /nfs/dbraw/zinc/29/04/83/285290483.db2.gz CLPZYZCMFUIPFS-LSDHHAIUSA-N 1 2 308.397 1.952 20 10 DDCDLO OC[C@H]1CCCN1C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000361064818 285290487 /nfs/dbraw/zinc/29/04/87/285290487.db2.gz CLPZYZCMFUIPFS-LSDHHAIUSA-N 1 2 308.397 1.952 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000283824331 131027482 /nfs/dbraw/zinc/02/74/82/131027482.db2.gz TZLMNAFZNZSCDK-GFCCVEGCSA-N 1 2 322.405 1.256 20 10 DDCDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177713849 408692359 /nfs/dbraw/zinc/69/23/59/408692359.db2.gz CSYKCPLODWHCNU-CYBMUJFWSA-N 1 2 323.412 1.871 20 10 DDCDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000292899678 409044801 /nfs/dbraw/zinc/04/48/01/409044801.db2.gz ZVTCGUOHWGUGSE-SNVBAGLBSA-N 1 2 303.811 1.912 20 10 DDCDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000292899678 409044805 /nfs/dbraw/zinc/04/48/05/409044805.db2.gz ZVTCGUOHWGUGSE-SNVBAGLBSA-N 1 2 303.811 1.912 20 10 DDCDLO COc1c(O)c(CN2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278251164 409076942 /nfs/dbraw/zinc/07/69/42/409076942.db2.gz PCURPKZGKJQSMF-UHFFFAOYSA-N 1 2 307.350 1.589 20 10 DDCDLO COc1c(O)c(C[NH+]2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278251164 409076946 /nfs/dbraw/zinc/07/69/46/409076946.db2.gz PCURPKZGKJQSMF-UHFFFAOYSA-N 1 2 307.350 1.589 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000293511873 409128090 /nfs/dbraw/zinc/12/80/90/409128090.db2.gz ICUBHSLIMRLMOT-UHFFFAOYSA-N 1 2 315.421 1.549 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000293511873 409128094 /nfs/dbraw/zinc/12/80/94/409128094.db2.gz ICUBHSLIMRLMOT-UHFFFAOYSA-N 1 2 315.421 1.549 20 10 DDCDLO COC(=O)COc1ccc([N@H+](C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000294982931 409306930 /nfs/dbraw/zinc/30/69/30/409306930.db2.gz MDARRIAYGNHYSX-CYBMUJFWSA-N 1 2 320.389 1.591 20 10 DDCDLO COC(=O)COc1ccc([N@@H+](C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000294982931 409306934 /nfs/dbraw/zinc/30/69/34/409306934.db2.gz MDARRIAYGNHYSX-CYBMUJFWSA-N 1 2 320.389 1.591 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000378346027 418720895 /nfs/dbraw/zinc/72/08/95/418720895.db2.gz CCVUGLVFWMVDCN-JKSUJKDBSA-N 1 2 320.433 1.822 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000363321720 418764224 /nfs/dbraw/zinc/76/42/24/418764224.db2.gz UYYJNXWKAPXWRE-CQSZACIVSA-N 1 2 308.353 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000363321720 418764225 /nfs/dbraw/zinc/76/42/25/418764225.db2.gz UYYJNXWKAPXWRE-CQSZACIVSA-N 1 2 308.353 1.834 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000371403509 418789237 /nfs/dbraw/zinc/78/92/37/418789237.db2.gz SPIHSNRHJRJJGI-LSDHHAIUSA-N 1 2 323.389 1.943 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000371403509 418789239 /nfs/dbraw/zinc/78/92/39/418789239.db2.gz SPIHSNRHJRJJGI-LSDHHAIUSA-N 1 2 323.389 1.943 20 10 DDCDLO COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000492815144 420673820 /nfs/dbraw/zinc/67/38/20/420673820.db2.gz WKIOSIMQZNKULD-PSKZRQQASA-N 1 2 313.313 1.390 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184548 277141807 /nfs/dbraw/zinc/14/18/07/277141807.db2.gz IKNVFFSHALFIDD-HUUCEWRRSA-N 1 2 310.369 1.390 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184548 277141808 /nfs/dbraw/zinc/14/18/08/277141808.db2.gz IKNVFFSHALFIDD-HUUCEWRRSA-N 1 2 310.369 1.390 20 10 DDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775732838 698026899 /nfs/dbraw/zinc/02/68/99/698026899.db2.gz BFVWAYLGIYOXNH-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775732838 698026902 /nfs/dbraw/zinc/02/69/02/698026902.db2.gz BFVWAYLGIYOXNH-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+]1CCO ZINC000779213472 698402028 /nfs/dbraw/zinc/40/20/28/698402028.db2.gz KBXDUNARNLHAHC-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@H+]1CCO ZINC000779213472 698402030 /nfs/dbraw/zinc/40/20/30/698402030.db2.gz KBXDUNARNLHAHC-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)CC(C)(C)S(C)(=O)=O ZINC000708415607 699249894 /nfs/dbraw/zinc/24/98/94/699249894.db2.gz ZSVSALOBAIGBAG-UHFFFAOYSA-N 1 2 307.362 1.925 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)CC(C)(C)S(C)(=O)=O ZINC000708415607 699249898 /nfs/dbraw/zinc/24/98/98/699249898.db2.gz ZSVSALOBAIGBAG-UHFFFAOYSA-N 1 2 307.362 1.925 20 10 DDCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000708399223 699250052 /nfs/dbraw/zinc/25/00/52/699250052.db2.gz JPKMQVKGSPLYRP-LLVKDONJSA-N 1 2 305.346 1.679 20 10 DDCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000708399223 699250053 /nfs/dbraw/zinc/25/00/53/699250053.db2.gz JPKMQVKGSPLYRP-LLVKDONJSA-N 1 2 305.346 1.679 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000769466486 701245911 /nfs/dbraw/zinc/24/59/11/701245911.db2.gz KCYPICDHAXACTO-HNNXBMFYSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000769466486 701245912 /nfs/dbraw/zinc/24/59/12/701245912.db2.gz KCYPICDHAXACTO-HNNXBMFYSA-N 1 2 309.362 1.555 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816511960 702101901 /nfs/dbraw/zinc/10/19/01/702101901.db2.gz RCSQLTQLWSJLBS-SECBINFHSA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816511960 702101905 /nfs/dbraw/zinc/10/19/05/702101905.db2.gz RCSQLTQLWSJLBS-SECBINFHSA-N 1 2 322.789 1.438 20 10 DDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc(O)c(O)c1 ZINC000845834105 703207987 /nfs/dbraw/zinc/20/79/87/703207987.db2.gz LGCZBXGTNWGOIS-UHFFFAOYSA-N 1 2 301.346 1.490 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(O)c1O ZINC000855411758 704483812 /nfs/dbraw/zinc/48/38/12/704483812.db2.gz QKTJWDGVQZUSPF-RYUDHWBXSA-N 1 2 308.378 1.245 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(O)c1O ZINC000855411758 704483813 /nfs/dbraw/zinc/48/38/13/704483813.db2.gz QKTJWDGVQZUSPF-RYUDHWBXSA-N 1 2 308.378 1.245 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821807300 704814075 /nfs/dbraw/zinc/81/40/75/704814075.db2.gz PQRRZGXJHCYEQF-YUSALJHKSA-N 1 2 301.346 1.672 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821807300 704814080 /nfs/dbraw/zinc/81/40/80/704814080.db2.gz PQRRZGXJHCYEQF-YUSALJHKSA-N 1 2 301.346 1.672 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835028078 707158677 /nfs/dbraw/zinc/15/86/77/707158677.db2.gz JFFOOGFTXKHIHV-WRFKIARRSA-N 1 2 317.433 1.603 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835028078 707158681 /nfs/dbraw/zinc/15/86/81/707158681.db2.gz JFFOOGFTXKHIHV-WRFKIARRSA-N 1 2 317.433 1.603 20 10 DDCDLO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000862528524 705727016 /nfs/dbraw/zinc/72/70/16/705727016.db2.gz YBYYKRSISYAGFO-UHFFFAOYSA-N 1 2 314.769 1.205 20 10 DDCDLO CCOCCOC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000838991298 708011475 /nfs/dbraw/zinc/01/14/75/708011475.db2.gz NBOJJZWIXVHSKZ-UHFFFAOYSA-N 1 2 320.433 1.761 20 10 DDCDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894427896 711117153 /nfs/dbraw/zinc/11/71/53/711117153.db2.gz WCHDJVXBMDQZBY-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894427896 711117156 /nfs/dbraw/zinc/11/71/56/711117156.db2.gz WCHDJVXBMDQZBY-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1N=NC(=O)N1C ZINC000895176287 711443800 /nfs/dbraw/zinc/44/38/00/711443800.db2.gz NGVVFDVWXTYUMO-ZCFIWIBFSA-N 1 2 300.721 1.870 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C)[C@H](CO)C2)c1O ZINC000931408685 714087837 /nfs/dbraw/zinc/08/78/37/714087837.db2.gz VTKPFPGMCCLUHO-ZDUSSCGKSA-N 1 2 312.797 1.357 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)[C@H](CO)C2)c1O ZINC000931408685 714087841 /nfs/dbraw/zinc/08/78/41/714087841.db2.gz VTKPFPGMCCLUHO-ZDUSSCGKSA-N 1 2 312.797 1.357 20 10 DDCDLO COCCn1c[nH+]cc1CNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155800 743502045 /nfs/dbraw/zinc/50/20/45/743502045.db2.gz QPRLXSBGCVGJNJ-UHFFFAOYSA-N 1 2 319.361 1.190 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC001183345853 743828203 /nfs/dbraw/zinc/82/82/03/743828203.db2.gz QCICDIANQYCDNG-LLVKDONJSA-N 1 2 318.826 1.689 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC001183345853 743828206 /nfs/dbraw/zinc/82/82/06/743828206.db2.gz QCICDIANQYCDNG-LLVKDONJSA-N 1 2 318.826 1.689 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCOC[C@](C)(O)C1 ZINC001139125425 860295082 /nfs/dbraw/zinc/29/50/82/860295082.db2.gz UYKFNTGDZLOOEK-QGZVFWFLSA-N 1 2 319.357 1.390 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCOC[C@](C)(O)C1 ZINC001139125425 860295087 /nfs/dbraw/zinc/29/50/87/860295087.db2.gz UYKFNTGDZLOOEK-QGZVFWFLSA-N 1 2 319.357 1.390 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@H]([NH+](C)C)C1 ZINC001139126611 860296744 /nfs/dbraw/zinc/29/67/44/860296744.db2.gz MFFDJMQIESUWPZ-LBPRGKRZSA-N 1 2 302.374 1.943 20 10 DDCDLO O=C(N1CCOCC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001325025866 867706662 /nfs/dbraw/zinc/70/66/62/867706662.db2.gz DKMSXQBCIMPEPJ-UHFFFAOYSA-N 1 2 323.368 1.101 20 10 DDCDLO NC(=O)[C@@H]1CCCN1c1cc(NCc2ccc(N)cc2)[nH+]cn1 ZINC001162787529 867822535 /nfs/dbraw/zinc/82/25/35/867822535.db2.gz MLQNKMNFCOXMPG-ZDUSSCGKSA-N 1 2 312.377 1.125 20 10 DDCDLO NC(=O)[C@@H]1CCCN1c1cc(NCc2ccc(N)cc2)nc[nH+]1 ZINC001162787529 867822544 /nfs/dbraw/zinc/82/25/44/867822544.db2.gz MLQNKMNFCOXMPG-ZDUSSCGKSA-N 1 2 312.377 1.125 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231637642 885776031 /nfs/dbraw/zinc/77/60/31/885776031.db2.gz PIZRZNWUWDNWCE-LLVKDONJSA-N 1 2 315.391 1.115 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231637642 885776041 /nfs/dbraw/zinc/77/60/41/885776041.db2.gz PIZRZNWUWDNWCE-LLVKDONJSA-N 1 2 315.391 1.115 20 10 DDCDLO Oc1c(CN2CCO[C@H](C[NH+]3CCCC3)C2)ccc(F)c1F ZINC001233080644 886776982 /nfs/dbraw/zinc/77/69/82/886776982.db2.gz ZBXYYTATFUQEHO-CYBMUJFWSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC001233332050 886928350 /nfs/dbraw/zinc/92/83/50/886928350.db2.gz WQYZOGKUCLJFGK-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)C[C@H]21 ZINC001233416464 886985476 /nfs/dbraw/zinc/98/54/76/886985476.db2.gz IYDGQQPGVURVPJ-OLZOCXBDSA-N 1 2 316.323 1.926 20 10 DDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)C[C@H]21 ZINC001233416464 886985485 /nfs/dbraw/zinc/98/54/85/886985485.db2.gz IYDGQQPGVURVPJ-OLZOCXBDSA-N 1 2 316.323 1.926 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NCC3CC3)CC2)cc1 ZINC000042289799 352333468 /nfs/dbraw/zinc/33/34/68/352333468.db2.gz RFQKMFJMMYHGML-UHFFFAOYSA-N 1 2 303.406 1.343 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(C[C@H](C)O)C[C@H]2C)cc1OC ZINC000284462609 131082269 /nfs/dbraw/zinc/08/22/69/131082269.db2.gz VEGSUHJCIMNFJM-OLZOCXBDSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)cc1OC ZINC000284462609 131082270 /nfs/dbraw/zinc/08/22/70/131082270.db2.gz VEGSUHJCIMNFJM-OLZOCXBDSA-N 1 2 324.421 1.296 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCc2ccccc2O)c[nH+]1 ZINC000299503183 132108986 /nfs/dbraw/zinc/10/89/86/132108986.db2.gz MBAJHOYSEATNCO-UHFFFAOYSA-N 1 2 300.362 1.853 20 10 DDCDLO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000186578971 407711134 /nfs/dbraw/zinc/71/11/34/407711134.db2.gz JHXWCXDRMMRYPP-ZBFHGGJFSA-N 1 2 324.377 1.956 20 10 DDCDLO CCOc1cccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1O ZINC000374801825 418564603 /nfs/dbraw/zinc/56/46/03/418564603.db2.gz OYQVVMPNFASHEM-NSHDSACASA-N 1 2 318.377 1.493 20 10 DDCDLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)c1O ZINC000369597490 418735516 /nfs/dbraw/zinc/73/55/16/418735516.db2.gz ZQLRYEGRMGBTFO-SNVBAGLBSA-N 1 2 318.333 1.220 20 10 DDCDLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)c1O ZINC000369597490 418735517 /nfs/dbraw/zinc/73/55/17/418735517.db2.gz ZQLRYEGRMGBTFO-SNVBAGLBSA-N 1 2 318.333 1.220 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000372613661 418888079 /nfs/dbraw/zinc/88/80/79/418888079.db2.gz PCHHZGSMBILVJU-MRXNPFEDSA-N 1 2 322.336 1.808 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000773756708 697801302 /nfs/dbraw/zinc/80/13/02/697801302.db2.gz YHDLMLLYCWVAEA-QGZVFWFLSA-N 1 2 305.422 1.480 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000773756708 697801306 /nfs/dbraw/zinc/80/13/06/697801306.db2.gz YHDLMLLYCWVAEA-QGZVFWFLSA-N 1 2 305.422 1.480 20 10 DDCDLO COc1ccc(N2CCN(c3nc(C)[nH+]c(N)n3)CC2)cc1 ZINC000319689289 698714650 /nfs/dbraw/zinc/71/46/50/698714650.db2.gz SDFSLKLOYZXLGH-UHFFFAOYSA-N 1 2 300.366 1.097 20 10 DDCDLO C[C@H](O)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055990 699248445 /nfs/dbraw/zinc/24/84/45/699248445.db2.gz HYBYURCRYUSBPC-WKEGUHRASA-N 1 2 324.602 1.639 20 10 DDCDLO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756709626 700637538 /nfs/dbraw/zinc/63/75/38/700637538.db2.gz XQJUBIZTHBWBEG-MRVPVSSYSA-N 1 2 308.350 1.260 20 10 DDCDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769480214 701246578 /nfs/dbraw/zinc/24/65/78/701246578.db2.gz LXSUPUQBCCWOLQ-FQEVSTJZSA-N 1 2 316.854 1.542 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1F ZINC000770388480 701276075 /nfs/dbraw/zinc/27/60/75/701276075.db2.gz BJDYZVBLLUNRQB-CYBMUJFWSA-N 1 2 307.369 1.918 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1F ZINC000770388480 701276077 /nfs/dbraw/zinc/27/60/77/701276077.db2.gz BJDYZVBLLUNRQB-CYBMUJFWSA-N 1 2 307.369 1.918 20 10 DDCDLO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000811520745 701996421 /nfs/dbraw/zinc/99/64/21/701996421.db2.gz UIPLNSQKWDJZTO-UHFFFAOYSA-N 1 2 310.778 1.166 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1O ZINC000868369761 702092354 /nfs/dbraw/zinc/09/23/54/702092354.db2.gz ZDLYMWDTWSYTLY-CYBMUJFWSA-N 1 2 321.421 1.863 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1O ZINC000868369761 702092361 /nfs/dbraw/zinc/09/23/61/702092361.db2.gz ZDLYMWDTWSYTLY-CYBMUJFWSA-N 1 2 321.421 1.863 20 10 DDCDLO Cc1cc(O)c(C[N@H+](C)CC(=O)N2CCOCC2)c(Cl)c1 ZINC000840909874 702276738 /nfs/dbraw/zinc/27/67/38/702276738.db2.gz MBOPRYXHKAASSW-UHFFFAOYSA-N 1 2 312.797 1.645 20 10 DDCDLO Cc1cc(O)c(C[N@@H+](C)CC(=O)N2CCOCC2)c(Cl)c1 ZINC000840909874 702276742 /nfs/dbraw/zinc/27/67/42/702276742.db2.gz MBOPRYXHKAASSW-UHFFFAOYSA-N 1 2 312.797 1.645 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H]3CCCNC3=O)CC2)c(OC)c1 ZINC000879462508 706686490 /nfs/dbraw/zinc/68/64/90/706686490.db2.gz PYQKUHDUQNWMAN-HNNXBMFYSA-N 1 2 319.405 1.104 20 10 DDCDLO COc1ccc(O)c(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845833889 703208160 /nfs/dbraw/zinc/20/81/60/703208160.db2.gz OVNTZNJEBPDSSZ-UHFFFAOYSA-N 1 2 315.373 1.793 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000831925037 706804498 /nfs/dbraw/zinc/80/44/98/706804498.db2.gz RLFBYVOQQJARNH-DGCLKSJQSA-N 1 2 315.373 1.604 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000855224167 704473948 /nfs/dbraw/zinc/47/39/48/704473948.db2.gz FFAHTBSRTAQFPN-CYBMUJFWSA-N 1 2 314.389 1.366 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1O ZINC000855411759 704483750 /nfs/dbraw/zinc/48/37/50/704483750.db2.gz QKTJWDGVQZUSPF-VXGBXAGGSA-N 1 2 308.378 1.245 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1O ZINC000855411759 704483751 /nfs/dbraw/zinc/48/37/51/704483751.db2.gz QKTJWDGVQZUSPF-VXGBXAGGSA-N 1 2 308.378 1.245 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000877704072 706183131 /nfs/dbraw/zinc/18/31/31/706183131.db2.gz HFJUNCDXPJDLCB-QGZVFWFLSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000877704072 706183132 /nfs/dbraw/zinc/18/31/32/706183132.db2.gz HFJUNCDXPJDLCB-QGZVFWFLSA-N 1 2 306.406 1.907 20 10 DDCDLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC000877791319 706215822 /nfs/dbraw/zinc/21/58/22/706215822.db2.gz JEEKPIRFUOZATN-NEPJUHHUSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC000877791319 706215825 /nfs/dbraw/zinc/21/58/25/706215825.db2.gz JEEKPIRFUOZATN-NEPJUHHUSA-N 1 2 315.822 1.912 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000830544079 706533891 /nfs/dbraw/zinc/53/38/91/706533891.db2.gz LGYVRDCCENJPQG-CHWSQXEVSA-N 1 2 301.346 1.554 20 10 DDCDLO C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502742 707021195 /nfs/dbraw/zinc/02/11/95/707021195.db2.gz CBIJBAGRQXHGGE-RGDDUWESSA-N 1 2 317.433 1.818 20 10 DDCDLO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132419 707936071 /nfs/dbraw/zinc/93/60/71/707936071.db2.gz QOFPAMQPYJVTDD-ZDUSSCGKSA-N 1 2 300.349 1.607 20 10 DDCDLO CCOc1cccc(C[NH+]2CC(OCC(=O)N(C)C)C2)c1O ZINC000839138815 708029550 /nfs/dbraw/zinc/02/95/50/708029550.db2.gz UCDMRGXWVLUJAK-UHFFFAOYSA-N 1 2 308.378 1.080 20 10 DDCDLO C/C(=C\C(=O)NCc1c(O)cccc1F)C[NH+]1CCOCC1 ZINC000928709722 713469459 /nfs/dbraw/zinc/46/94/59/713469459.db2.gz DXNYOHLRFUQBJT-FMIVXFBMSA-N 1 2 308.353 1.426 20 10 DDCDLO F[C@H]1CC[N@@H+](C2CN(Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001138499101 860119352 /nfs/dbraw/zinc/11/93/52/860119352.db2.gz WPYRVJOJYAXLNC-INIZCTEOSA-N 1 2 319.424 1.751 20 10 DDCDLO F[C@H]1CC[N@H+](C2CN(Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001138499101 860119355 /nfs/dbraw/zinc/11/93/55/860119355.db2.gz WPYRVJOJYAXLNC-INIZCTEOSA-N 1 2 319.424 1.751 20 10 DDCDLO CO[C@@H]1C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C[C@@H]1OC ZINC001139127376 860296348 /nfs/dbraw/zinc/29/63/48/860296348.db2.gz UTAOFHFYEFWHOZ-GASCZTMLSA-N 1 2 319.357 1.653 20 10 DDCDLO CO[C@@H]1C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C[C@@H]1OC ZINC001139127376 860296359 /nfs/dbraw/zinc/29/63/59/860296359.db2.gz UTAOFHFYEFWHOZ-GASCZTMLSA-N 1 2 319.357 1.653 20 10 DDCDLO CN1CCC[N@H+](Cc2c(O)cccc2Br)CC1=O ZINC001140101301 860574507 /nfs/dbraw/zinc/57/45/07/860574507.db2.gz QPNROLYMDDMCLC-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO CN1CCC[N@@H+](Cc2c(O)cccc2Br)CC1=O ZINC001140101301 860574515 /nfs/dbraw/zinc/57/45/15/860574515.db2.gz QPNROLYMDDMCLC-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO OCC1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC001333589123 866862636 /nfs/dbraw/zinc/86/26/36/866862636.db2.gz YPVSLBKJRQKMPZ-UHFFFAOYSA-N 1 2 300.349 1.464 20 10 DDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cccc(O)c1O ZINC001350299948 875619058 /nfs/dbraw/zinc/61/90/58/875619058.db2.gz LQWVQKJKRTZDSB-UHFFFAOYSA-N 1 2 301.346 1.490 20 10 DDCDLO COc1ccc(C[N@@H+]2CCc3onc(C(N)=O)c3C2)c(O)c1 ZINC001277453861 884440279 /nfs/dbraw/zinc/44/02/79/884440279.db2.gz IHKHZQYBNMYCCC-UHFFFAOYSA-N 1 2 303.318 1.046 20 10 DDCDLO COc1ccc(C[N@H+]2CCc3onc(C(N)=O)c3C2)c(O)c1 ZINC001277453861 884440285 /nfs/dbraw/zinc/44/02/85/884440285.db2.gz IHKHZQYBNMYCCC-UHFFFAOYSA-N 1 2 303.318 1.046 20 10 DDCDLO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001277658026 886325466 /nfs/dbraw/zinc/32/54/66/886325466.db2.gz WNNQMWBCZUBWSQ-ZUZCIYMTSA-N 1 2 316.317 1.084 20 10 DDCDLO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001277658026 886325483 /nfs/dbraw/zinc/32/54/83/886325483.db2.gz WNNQMWBCZUBWSQ-ZUZCIYMTSA-N 1 2 316.317 1.084 20 10 DDCDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010009 886721486 /nfs/dbraw/zinc/72/14/86/886721486.db2.gz HCMQHRSSSKZFQK-LBPRGKRZSA-N 1 2 307.268 1.550 20 10 DDCDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010009 886721493 /nfs/dbraw/zinc/72/14/93/886721493.db2.gz HCMQHRSSSKZFQK-LBPRGKRZSA-N 1 2 307.268 1.550 20 10 DDCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001233107246 886788581 /nfs/dbraw/zinc/78/85/81/886788581.db2.gz WGEXDCOGXIXXMF-WDEREUQCSA-N 1 2 304.159 1.978 20 10 DDCDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001233107246 886788587 /nfs/dbraw/zinc/78/85/87/886788587.db2.gz WGEXDCOGXIXXMF-WDEREUQCSA-N 1 2 304.159 1.978 20 10 DDCDLO CC[N@H+](CCC(N)=O)Cc1cc(F)cc(Br)c1O ZINC001235302921 888538312 /nfs/dbraw/zinc/53/83/12/888538312.db2.gz WNJPILXRHYJWPN-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO CC[N@@H+](CCC(N)=O)Cc1cc(F)cc(Br)c1O ZINC001235302921 888538320 /nfs/dbraw/zinc/53/83/20/888538320.db2.gz WNJPILXRHYJWPN-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)N(C)C)CC2)c(O)c(OC)c1 ZINC001237674429 889796124 /nfs/dbraw/zinc/79/61/24/889796124.db2.gz HDVUTONSTZCWAS-UHFFFAOYSA-N 1 2 323.393 1.209 20 10 DDCDLO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278248769 890267264 /nfs/dbraw/zinc/26/72/64/890267264.db2.gz OPBKUBHTYFIKFR-ZUZCIYMTSA-N 1 2 318.308 1.517 20 10 DDCDLO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278248769 890267281 /nfs/dbraw/zinc/26/72/81/890267281.db2.gz OPBKUBHTYFIKFR-ZUZCIYMTSA-N 1 2 318.308 1.517 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccccc1O ZINC001261875729 899803531 /nfs/dbraw/zinc/80/35/31/899803531.db2.gz PGOBZGDSYLXGQF-CHWSQXEVSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccccc1O ZINC001261875729 899803539 /nfs/dbraw/zinc/80/35/39/899803539.db2.gz PGOBZGDSYLXGQF-CHWSQXEVSA-N 1 2 307.394 1.473 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000126072785 407403913 /nfs/dbraw/zinc/40/39/13/407403913.db2.gz MNBBGDQDQJMTFF-YBYGRFCBSA-N 1 2 301.383 1.933 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000126072785 407403915 /nfs/dbraw/zinc/40/39/15/407403915.db2.gz MNBBGDQDQJMTFF-YBYGRFCBSA-N 1 2 301.383 1.933 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187287866 407840637 /nfs/dbraw/zinc/84/06/37/407840637.db2.gz KDUSSIVLLRHLJP-MRXNPFEDSA-N 1 2 318.417 1.852 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187287866 407840638 /nfs/dbraw/zinc/84/06/38/407840638.db2.gz KDUSSIVLLRHLJP-MRXNPFEDSA-N 1 2 318.417 1.852 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000371403506 418788924 /nfs/dbraw/zinc/78/89/24/418788924.db2.gz SPIHSNRHJRJJGI-CABCVRRESA-N 1 2 323.389 1.943 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000371403506 418788926 /nfs/dbraw/zinc/78/89/26/418788926.db2.gz SPIHSNRHJRJJGI-CABCVRRESA-N 1 2 323.389 1.943 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368963246 278244086 /nfs/dbraw/zinc/24/40/86/278244086.db2.gz ADEQFUFNNQWBOV-PSOPSSQASA-N 1 2 320.364 1.820 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368963246 278244089 /nfs/dbraw/zinc/24/40/89/278244089.db2.gz ADEQFUFNNQWBOV-PSOPSSQASA-N 1 2 320.364 1.820 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)c1O ZINC000157272663 518288341 /nfs/dbraw/zinc/28/83/41/518288341.db2.gz QCQROXBQCRGOEB-IINYFYTJSA-N 1 2 311.353 1.706 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)c1O ZINC000157272663 518288346 /nfs/dbraw/zinc/28/83/46/518288346.db2.gz QCQROXBQCRGOEB-IINYFYTJSA-N 1 2 311.353 1.706 20 10 DDCDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355169 535851215 /nfs/dbraw/zinc/85/12/15/535851215.db2.gz PALFPKDOAJYRBC-GDBMZVCRSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355169 535851220 /nfs/dbraw/zinc/85/12/20/535851220.db2.gz PALFPKDOAJYRBC-GDBMZVCRSA-N 1 2 319.449 1.868 20 10 DDCDLO Cc1cc(Br)cc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000775662675 698020349 /nfs/dbraw/zinc/02/03/49/698020349.db2.gz GUHHMZQPJOBJJC-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO Cc1cc(Br)cc(C[N@H+]2CCCNC(=O)C2)c1O ZINC000775662675 698020353 /nfs/dbraw/zinc/02/03/53/698020353.db2.gz GUHHMZQPJOBJJC-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO CC(C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768437949 701176862 /nfs/dbraw/zinc/17/68/62/701176862.db2.gz KLTUQGCEZPPFIA-OAHLLOKOSA-N 1 2 320.389 1.118 20 10 DDCDLO COCCN1CC[N@H+](Cc2c(O)ccc3ccncc32)CC1=O ZINC000768469775 701180881 /nfs/dbraw/zinc/18/08/81/701180881.db2.gz FKLWBACMEGJLEU-UHFFFAOYSA-N 1 2 315.373 1.231 20 10 DDCDLO COCCN1CC[N@@H+](Cc2c(O)ccc3ccncc32)CC1=O ZINC000768469775 701180883 /nfs/dbraw/zinc/18/08/83/701180883.db2.gz FKLWBACMEGJLEU-UHFFFAOYSA-N 1 2 315.373 1.231 20 10 DDCDLO CCOC(=O)C[N@H+](CCOC(F)F)Cc1ccccc1O ZINC000852191270 703962490 /nfs/dbraw/zinc/96/24/90/703962490.db2.gz FRBAUQWAHRUGSZ-UHFFFAOYSA-N 1 2 303.305 1.997 20 10 DDCDLO CCOC(=O)C[N@@H+](CCOC(F)F)Cc1ccccc1O ZINC000852191270 703962493 /nfs/dbraw/zinc/96/24/93/703962493.db2.gz FRBAUQWAHRUGSZ-UHFFFAOYSA-N 1 2 303.305 1.997 20 10 DDCDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cnn[nH]2)ccc1N1CCCCC1 ZINC000858198514 704677220 /nfs/dbraw/zinc/67/72/20/704677220.db2.gz POFRFLMOYZZEMY-UHFFFAOYSA-N 1 2 316.365 1.993 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875073100 705272942 /nfs/dbraw/zinc/27/29/42/705272942.db2.gz BHDWRVLTYXMUFC-GFCCVEGCSA-N 1 2 305.378 1.138 20 10 DDCDLO COCCOCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000862468456 705720846 /nfs/dbraw/zinc/72/08/46/705720846.db2.gz IXEZRYUJWGTUBC-UHFFFAOYSA-N 1 2 321.776 1.642 20 10 DDCDLO COCCOCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000862468456 705720847 /nfs/dbraw/zinc/72/08/47/705720847.db2.gz IXEZRYUJWGTUBC-UHFFFAOYSA-N 1 2 321.776 1.642 20 10 DDCDLO C[C@]12C[N@H+](Cc3cccc(Cl)c3O)C[C@@]1(C)C(=O)NC2=O ZINC000877668998 706175233 /nfs/dbraw/zinc/17/52/33/706175233.db2.gz XKSCTBKHEJEPBD-GASCZTMLSA-N 1 2 308.765 1.530 20 10 DDCDLO C[C@]12C[N@@H+](Cc3cccc(Cl)c3O)C[C@@]1(C)C(=O)NC2=O ZINC000877668998 706175235 /nfs/dbraw/zinc/17/52/35/706175235.db2.gz XKSCTBKHEJEPBD-GASCZTMLSA-N 1 2 308.765 1.530 20 10 DDCDLO C[C@H]1CN(CCO)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053025 707162917 /nfs/dbraw/zinc/16/29/17/707162917.db2.gz AEOFAVLCLIHNKP-APHBUQMISA-N 1 2 303.450 1.764 20 10 DDCDLO C[C@H]1CN(CCO)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053025 707162921 /nfs/dbraw/zinc/16/29/21/707162921.db2.gz AEOFAVLCLIHNKP-APHBUQMISA-N 1 2 303.450 1.764 20 10 DDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000911308244 710736180 /nfs/dbraw/zinc/73/61/80/710736180.db2.gz FYMIUQIZNHDEEH-UHFFFAOYSA-N 1 2 317.345 1.250 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000928642849 713247340 /nfs/dbraw/zinc/24/73/40/713247340.db2.gz IGGZBIHVCAEGND-YVARQFDVSA-N 1 2 320.389 1.338 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)cc1F ZINC000895985382 711660514 /nfs/dbraw/zinc/66/05/14/711660514.db2.gz LJYJQYBIXJUYSK-ZDUSSCGKSA-N 1 2 318.389 1.696 20 10 DDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)C)cc12 ZINC001184355329 744029439 /nfs/dbraw/zinc/02/94/39/744029439.db2.gz XHRAGNXNFUWSBJ-UHFFFAOYSA-N 1 2 304.346 1.327 20 10 DDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)C)cc12 ZINC001184355329 744029440 /nfs/dbraw/zinc/02/94/40/744029440.db2.gz XHRAGNXNFUWSBJ-UHFFFAOYSA-N 1 2 304.346 1.327 20 10 DDCDLO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1c(O)cccc1F ZINC001119376176 781428461 /nfs/dbraw/zinc/42/84/61/781428461.db2.gz MBKUWKFPRAORNS-VIFPVBQESA-N 1 2 319.336 1.950 20 10 DDCDLO Cc1c(O)ccc(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c1O ZINC001272660821 846504915 /nfs/dbraw/zinc/50/49/15/846504915.db2.gz XISPEEHSBIJEAW-HUUCEWRRSA-N 1 2 312.316 1.110 20 10 DDCDLO Cc1c(O)ccc(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c1O ZINC001272660821 846504919 /nfs/dbraw/zinc/50/49/19/846504919.db2.gz XISPEEHSBIJEAW-HUUCEWRRSA-N 1 2 312.316 1.110 20 10 DDCDLO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1[NH3+] ZINC001236343294 846572073 /nfs/dbraw/zinc/57/20/73/846572073.db2.gz PAWMUFUWPIZHPY-ONGXEEELSA-N 1 2 319.188 1.631 20 10 DDCDLO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001138132981 860011572 /nfs/dbraw/zinc/01/15/72/860011572.db2.gz ZAVITKLLJJOBSM-LSDHHAIUSA-N 1 2 312.360 1.776 20 10 DDCDLO Oc1c(F)cccc1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001138132981 860011580 /nfs/dbraw/zinc/01/15/80/860011580.db2.gz ZAVITKLLJJOBSM-LSDHHAIUSA-N 1 2 312.360 1.776 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001139126460 860296939 /nfs/dbraw/zinc/29/69/39/860296939.db2.gz IHAUMEPUEGSVGB-JSGCOSHPSA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001139126460 860296945 /nfs/dbraw/zinc/29/69/45/860296945.db2.gz IHAUMEPUEGSVGB-JSGCOSHPSA-N 1 2 307.321 1.712 20 10 DDCDLO CC[N@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)C1CN(C)C1 ZINC001139133640 860300511 /nfs/dbraw/zinc/30/05/11/860300511.db2.gz KJNVKVLUBZPMEF-UHFFFAOYSA-N 1 2 302.374 1.943 20 10 DDCDLO CC[N@@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)C1CN(C)C1 ZINC001139133640 860300515 /nfs/dbraw/zinc/30/05/15/860300515.db2.gz KJNVKVLUBZPMEF-UHFFFAOYSA-N 1 2 302.374 1.943 20 10 DDCDLO O=C(c1ccccn1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141163281 860800606 /nfs/dbraw/zinc/80/06/06/860800606.db2.gz YMJVBMWPLQWDFA-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2F)CC1 ZINC001331419298 865075139 /nfs/dbraw/zinc/07/51/39/865075139.db2.gz PUAIMSNXFVNYPH-INIZCTEOSA-N 1 2 306.429 1.404 20 10 DDCDLO COCC[NH+]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339455134 870505438 /nfs/dbraw/zinc/50/54/38/870505438.db2.gz JRPCWULIQFKNHZ-UHFFFAOYSA-N 1 2 323.422 1.018 20 10 DDCDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276538427 873347486 /nfs/dbraw/zinc/34/74/86/873347486.db2.gz BZUKNUDAROBNJV-UHFFFAOYSA-N 1 2 307.369 1.909 20 10 DDCDLO COCc1n[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC001346845625 873913663 /nfs/dbraw/zinc/91/36/63/873913663.db2.gz AYELAQWMDSDSGN-UHFFFAOYSA-N 1 2 317.393 1.078 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1[nH+]ccn1C ZINC001348212768 874426931 /nfs/dbraw/zinc/42/69/31/874426931.db2.gz OXIYKYFBADZOQZ-LLVKDONJSA-N 1 2 303.362 1.511 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC001350309908 875624121 /nfs/dbraw/zinc/62/41/21/875624121.db2.gz NETAIGDLCQUFON-SECBINFHSA-N 1 2 305.346 1.537 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC001350309908 875624125 /nfs/dbraw/zinc/62/41/25/875624125.db2.gz NETAIGDLCQUFON-SECBINFHSA-N 1 2 305.346 1.537 20 10 DDCDLO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910307 885940628 /nfs/dbraw/zinc/94/06/28/885940628.db2.gz LAVCRKJETVPOAD-NHYWBVRUSA-N 1 2 311.765 1.667 20 10 DDCDLO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910307 885940634 /nfs/dbraw/zinc/94/06/34/885940634.db2.gz LAVCRKJETVPOAD-NHYWBVRUSA-N 1 2 311.765 1.667 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC(=O)N1 ZINC001237053796 889484336 /nfs/dbraw/zinc/48/43/36/889484336.db2.gz QTBPIJAREUOPSL-SECBINFHSA-N 1 2 318.295 1.654 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC(=O)N1 ZINC001237053796 889484347 /nfs/dbraw/zinc/48/43/47/889484347.db2.gz QTBPIJAREUOPSL-SECBINFHSA-N 1 2 318.295 1.654 20 10 DDCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001237940553 889950395 /nfs/dbraw/zinc/95/03/95/889950395.db2.gz MLKMKIPHCFEPCU-UHFFFAOYSA-N 1 2 323.759 1.692 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000283824333 131027127 /nfs/dbraw/zinc/02/71/27/131027127.db2.gz TZLMNAFZNZSCDK-LBPRGKRZSA-N 1 2 322.405 1.256 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286785163 131249948 /nfs/dbraw/zinc/24/99/48/131249948.db2.gz HQYVXTPXJNFICV-KRWDZBQOSA-N 1 2 323.412 1.165 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286785163 131249950 /nfs/dbraw/zinc/24/99/50/131249950.db2.gz HQYVXTPXJNFICV-KRWDZBQOSA-N 1 2 323.412 1.165 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000298243238 132052272 /nfs/dbraw/zinc/05/22/72/132052272.db2.gz SIIPZIMZUDFCDQ-IAGOWNOFSA-N 1 2 317.433 1.622 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000298243238 132052274 /nfs/dbraw/zinc/05/22/74/132052274.db2.gz SIIPZIMZUDFCDQ-IAGOWNOFSA-N 1 2 317.433 1.622 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000184671927 408664488 /nfs/dbraw/zinc/66/44/88/408664488.db2.gz DHHXKGUCOFVFJQ-NSHDSACASA-N 1 2 319.810 1.673 20 10 DDCDLO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(O)c1O ZINC000177667246 408679502 /nfs/dbraw/zinc/67/95/02/408679502.db2.gz QJMXFHFVLPUNTL-AWEZNQCLSA-N 1 2 322.405 1.493 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC000276660131 408894834 /nfs/dbraw/zinc/89/48/34/408894834.db2.gz SWZGMGGSVYJFKW-TZMCWYRMSA-N 1 2 309.362 1.289 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC000276660131 408894836 /nfs/dbraw/zinc/89/48/36/408894836.db2.gz SWZGMGGSVYJFKW-TZMCWYRMSA-N 1 2 309.362 1.289 20 10 DDCDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000292899675 409044624 /nfs/dbraw/zinc/04/46/24/409044624.db2.gz ZVTCGUOHWGUGSE-JTQLQIEISA-N 1 2 303.811 1.912 20 10 DDCDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000292899675 409044628 /nfs/dbraw/zinc/04/46/28/409044628.db2.gz ZVTCGUOHWGUGSE-JTQLQIEISA-N 1 2 303.811 1.912 20 10 DDCDLO COc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(O)c1 ZINC000373709673 418450412 /nfs/dbraw/zinc/45/04/12/418450412.db2.gz ZPJXKHZNYLILGX-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000366787145 418518079 /nfs/dbraw/zinc/51/80/79/418518079.db2.gz FKDOQAPESQCMJF-JTQLQIEISA-N 1 2 300.761 1.701 20 10 DDCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000366787145 418518080 /nfs/dbraw/zinc/51/80/80/418518080.db2.gz FKDOQAPESQCMJF-JTQLQIEISA-N 1 2 300.761 1.701 20 10 DDCDLO NC(=O)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191295373 222100039 /nfs/dbraw/zinc/10/00/39/222100039.db2.gz UIOWXESJWNPEDK-UHFFFAOYSA-N 1 2 301.749 1.771 20 10 DDCDLO NC(=O)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191295373 222100042 /nfs/dbraw/zinc/10/00/42/222100042.db2.gz UIOWXESJWNPEDK-UHFFFAOYSA-N 1 2 301.749 1.771 20 10 DDCDLO Nc1ccc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000262525195 222285672 /nfs/dbraw/zinc/28/56/72/222285672.db2.gz OTFBLWKGNWHYQA-UHFFFAOYSA-N 1 2 310.401 1.551 20 10 DDCDLO CC(C)(O)c1cn(C2C[NH+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000371559346 418800393 /nfs/dbraw/zinc/80/03/93/418800393.db2.gz HDWGDBSMMJMBRX-UHFFFAOYSA-N 1 2 322.796 1.921 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001120676734 782088566 /nfs/dbraw/zinc/08/85/66/782088566.db2.gz AVFJXHLVDUHDOO-ZDUSSCGKSA-N 1 2 306.410 1.131 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([NH3+])c1cscn1 ZINC000580332051 333287588 /nfs/dbraw/zinc/28/75/88/333287588.db2.gz CADPXVHKFYGBIM-AWEZNQCLSA-N 1 2 318.402 1.635 20 10 DDCDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160522861 520815754 /nfs/dbraw/zinc/81/57/54/520815754.db2.gz WDMMGKVTNMFNDC-GFCCVEGCSA-N 1 2 308.378 1.510 20 10 DDCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160522861 520815756 /nfs/dbraw/zinc/81/57/56/520815756.db2.gz WDMMGKVTNMFNDC-GFCCVEGCSA-N 1 2 308.378 1.510 20 10 DDCDLO CC(C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1COC1 ZINC000298363242 535037910 /nfs/dbraw/zinc/03/79/10/535037910.db2.gz NFLQGPRCCYARQS-UHFFFAOYSA-N 1 2 305.422 1.478 20 10 DDCDLO CC(C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1COC1 ZINC000298363242 535037917 /nfs/dbraw/zinc/03/79/17/535037917.db2.gz NFLQGPRCCYARQS-UHFFFAOYSA-N 1 2 305.422 1.478 20 10 DDCDLO CC[C@@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000128468974 696779587 /nfs/dbraw/zinc/77/95/87/696779587.db2.gz IYSKCKRJCBWLOF-GFCCVEGCSA-N 1 2 301.770 1.792 20 10 DDCDLO CC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000128468974 696779589 /nfs/dbraw/zinc/77/95/89/696779589.db2.gz IYSKCKRJCBWLOF-GFCCVEGCSA-N 1 2 301.770 1.792 20 10 DDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779543647 698432928 /nfs/dbraw/zinc/43/29/28/698432928.db2.gz XZNWJWPUHUWFKC-HSBHDXMMSA-N 1 2 313.357 1.861 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@H+](CCF)CC2)cc1 ZINC000989767796 698757570 /nfs/dbraw/zinc/75/75/70/698757570.db2.gz IZHRSUXUUQZKJG-UHFFFAOYSA-N 1 2 321.356 1.966 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@@H+](CCF)CC2)cc1 ZINC000989767796 698757573 /nfs/dbraw/zinc/75/75/73/698757573.db2.gz IZHRSUXUUQZKJG-UHFFFAOYSA-N 1 2 321.356 1.966 20 10 DDCDLO COc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000793063398 699731643 /nfs/dbraw/zinc/73/16/43/699731643.db2.gz ONJQUEXQJHZYMX-GFCCVEGCSA-N 1 2 316.361 1.412 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547732 700627221 /nfs/dbraw/zinc/62/72/21/700627221.db2.gz GXOODVJRTCTZEO-FPMFFAJLSA-N 1 2 321.377 1.814 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547732 700627222 /nfs/dbraw/zinc/62/72/22/700627222.db2.gz GXOODVJRTCTZEO-FPMFFAJLSA-N 1 2 321.377 1.814 20 10 DDCDLO COC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768441301 701176924 /nfs/dbraw/zinc/17/69/24/701176924.db2.gz YECCJTIWBQKBOI-UHFFFAOYSA-N 1 2 310.350 1.293 20 10 DDCDLO COc1cc2c(c(OC)c1)N(CC[NH+]1CCOCC1)CCC2 ZINC000839656168 701767676 /nfs/dbraw/zinc/76/76/76/701767676.db2.gz IKBIXKBMYFAIMF-UHFFFAOYSA-N 1 2 306.406 1.789 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c(Cl)c1 ZINC000840917877 702278666 /nfs/dbraw/zinc/27/86/66/702278666.db2.gz UJKDAGKWJSCLID-NSHDSACASA-N 1 2 312.797 1.379 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000855020598 704466401 /nfs/dbraw/zinc/46/64/01/704466401.db2.gz SQYNDSHDDLLQTP-UHFFFAOYSA-N 1 2 302.378 1.556 20 10 DDCDLO CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876556449 705757078 /nfs/dbraw/zinc/75/70/78/705757078.db2.gz SBBFAWGFXOMLQX-UHFFFAOYSA-N 1 2 320.361 1.184 20 10 DDCDLO COCCOCC[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000877652070 706170680 /nfs/dbraw/zinc/17/06/80/706170680.db2.gz RGXTZGXBZVECNQ-UHFFFAOYSA-N 1 2 305.321 1.128 20 10 DDCDLO COCCOCC[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000877652070 706170681 /nfs/dbraw/zinc/17/06/81/706170681.db2.gz RGXTZGXBZVECNQ-UHFFFAOYSA-N 1 2 305.321 1.128 20 10 DDCDLO CONC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877784787 706211063 /nfs/dbraw/zinc/21/10/63/706211063.db2.gz LUHYEEIEVAPJEF-UHFFFAOYSA-N 1 2 300.305 1.560 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000835050212 707162049 /nfs/dbraw/zinc/16/20/49/707162049.db2.gz QBGFEKGJYULYSZ-DWTRPJMMSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000835050212 707162051 /nfs/dbraw/zinc/16/20/51/707162051.db2.gz QBGFEKGJYULYSZ-DWTRPJMMSA-N 1 2 308.447 1.885 20 10 DDCDLO O=C1OC[C@@]2(C[NH2+]Cc3cccc(Cl)c3O)COCCN12 ZINC000872263107 707354280 /nfs/dbraw/zinc/35/42/80/707354280.db2.gz WEMPATNBWSWOIQ-CQSZACIVSA-N 1 2 312.753 1.356 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000838479880 707930084 /nfs/dbraw/zinc/93/00/84/707930084.db2.gz UPLDKKBMHYILAG-UHFFFAOYSA-N 1 2 315.421 1.836 20 10 DDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)C1CC1 ZINC000838896718 707998503 /nfs/dbraw/zinc/99/85/03/707998503.db2.gz YLSJEMOXWAABJZ-AWEZNQCLSA-N 1 2 313.781 1.792 20 10 DDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)C1CC1 ZINC000838896718 707998504 /nfs/dbraw/zinc/99/85/04/707998504.db2.gz YLSJEMOXWAABJZ-AWEZNQCLSA-N 1 2 313.781 1.792 20 10 DDCDLO O=c1cc(N2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)nc[nH]1 ZINC000898150179 708557150 /nfs/dbraw/zinc/55/71/50/708557150.db2.gz PZJUKELWKLGNOT-NSHDSACASA-N 1 2 322.315 1.535 20 10 DDCDLO COc1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c(O)c1OC ZINC000893988627 710913103 /nfs/dbraw/zinc/91/31/03/710913103.db2.gz GWGVWIJLNCTZET-GHMZBOCLSA-N 1 2 313.419 1.751 20 10 DDCDLO CC[C@@H](CO)Nc1cc(N2Cc3cccc(O)c3C2)nc[nH+]1 ZINC000894992356 711353789 /nfs/dbraw/zinc/35/37/89/711353789.db2.gz WLYTTYIXXPPNKX-LBPRGKRZSA-N 1 2 300.362 1.885 20 10 DDCDLO CC[C@@H](CO)Nc1cc(N2Cc3cccc(O)c3C2)[nH+]cn1 ZINC000894992356 711353791 /nfs/dbraw/zinc/35/37/91/711353791.db2.gz WLYTTYIXXPPNKX-LBPRGKRZSA-N 1 2 300.362 1.885 20 10 DDCDLO CN(Cc1nc[nH]n1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116845811 780566270 /nfs/dbraw/zinc/56/62/70/780566270.db2.gz VKAWMQJYYZSSBY-UHFFFAOYSA-N 1 2 318.400 1.328 20 10 DDCDLO CN(Cc1nnc[nH]1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116845811 780566278 /nfs/dbraw/zinc/56/62/78/780566278.db2.gz VKAWMQJYYZSSBY-UHFFFAOYSA-N 1 2 318.400 1.328 20 10 DDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001138501279 860121368 /nfs/dbraw/zinc/12/13/68/860121368.db2.gz NPDCOJASFFKNEJ-KRWDZBQOSA-N 1 2 304.390 1.313 20 10 DDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001138501279 860121377 /nfs/dbraw/zinc/12/13/77/860121377.db2.gz NPDCOJASFFKNEJ-KRWDZBQOSA-N 1 2 304.390 1.313 20 10 DDCDLO COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139124587 860297091 /nfs/dbraw/zinc/29/70/91/860297091.db2.gz CMOSYFPKTLHZJJ-NSHDSACASA-N 1 2 317.341 1.802 20 10 DDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139124587 860297095 /nfs/dbraw/zinc/29/70/95/860297095.db2.gz CMOSYFPKTLHZJJ-NSHDSACASA-N 1 2 317.341 1.802 20 10 DDCDLO Cc1ccc(C[NH+]2CCN(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001140947859 860744649 /nfs/dbraw/zinc/74/46/49/860744649.db2.gz IULLJBLYVPZKEI-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO CN(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139427 860793158 /nfs/dbraw/zinc/79/31/58/860793158.db2.gz SCPWOMXTCPOTCU-UHFFFAOYSA-N 1 2 318.421 1.314 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC001141143967 860794652 /nfs/dbraw/zinc/79/46/52/860794652.db2.gz QGEIWAAVZTZOAJ-CYBMUJFWSA-N 1 2 310.419 1.134 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC001141143967 860794656 /nfs/dbraw/zinc/79/46/56/860794656.db2.gz QGEIWAAVZTZOAJ-CYBMUJFWSA-N 1 2 310.419 1.134 20 10 DDCDLO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(F)cc1O ZINC001331972726 865473601 /nfs/dbraw/zinc/47/36/01/865473601.db2.gz NVSQJSNYIKGIDV-SECBINFHSA-N 1 2 319.336 1.950 20 10 DDCDLO Cn1ncnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001336732327 869113782 /nfs/dbraw/zinc/11/37/82/869113782.db2.gz OTWKBPXQBGSVCC-UHFFFAOYSA-N 1 2 319.384 1.205 20 10 DDCDLO CCCNC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001220235102 878838139 /nfs/dbraw/zinc/83/81/39/878838139.db2.gz ZDFWIKJKTCJVCK-UHFFFAOYSA-N 1 2 318.373 1.765 20 10 DDCDLO CCCNC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001220235102 878838153 /nfs/dbraw/zinc/83/81/53/878838153.db2.gz ZDFWIKJKTCJVCK-UHFFFAOYSA-N 1 2 318.373 1.765 20 10 DDCDLO NC(=O)c1ccc2c(n1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001277484400 885189973 /nfs/dbraw/zinc/18/99/73/885189973.db2.gz NXLHWXWIPIQULO-UHFFFAOYSA-N 1 2 301.321 1.584 20 10 DDCDLO NC(=O)c1ccc2c(n1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001277484400 885189974 /nfs/dbraw/zinc/18/99/74/885189974.db2.gz NXLHWXWIPIQULO-UHFFFAOYSA-N 1 2 301.321 1.584 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccc(=O)[nH]n3)CC2)c(C)c1 ZINC001232029199 886030801 /nfs/dbraw/zinc/03/08/01/886030801.db2.gz VYIUFRNFAMGKOZ-UHFFFAOYSA-N 1 2 314.389 1.821 20 10 DDCDLO C[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237616436 889761205 /nfs/dbraw/zinc/76/12/05/889761205.db2.gz CSRFOZTYMYZDSH-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237616436 889761212 /nfs/dbraw/zinc/76/12/12/889761212.db2.gz CSRFOZTYMYZDSH-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO COCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237800177 889852806 /nfs/dbraw/zinc/85/28/06/889852806.db2.gz MPUYJEOVXOPFTI-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H](C)CCSC ZINC001258198138 898103228 /nfs/dbraw/zinc/10/32/28/898103228.db2.gz HCJXWACFHLGGBL-PWSUYJOCSA-N 1 2 313.419 1.913 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(N)cc1 ZINC001262584809 900262747 /nfs/dbraw/zinc/26/27/47/900262747.db2.gz MCJXBEBROLIVFY-INIZCTEOSA-N 1 2 320.437 1.221 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000179717626 407824294 /nfs/dbraw/zinc/82/42/94/407824294.db2.gz GTIHOQXOBNDAGY-SFHVURJKSA-N 1 2 319.449 1.870 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000179717626 407824300 /nfs/dbraw/zinc/82/43/00/407824300.db2.gz GTIHOQXOBNDAGY-SFHVURJKSA-N 1 2 319.449 1.870 20 10 DDCDLO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000276490324 408868981 /nfs/dbraw/zinc/86/89/81/408868981.db2.gz QBCAJMTWQKXNRE-QMMMGPOBSA-N 1 2 318.160 1.419 20 10 DDCDLO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(O)c1O ZINC000292534486 409035096 /nfs/dbraw/zinc/03/50/96/409035096.db2.gz CNMZSHLLWYUAAF-TZMCWYRMSA-N 1 2 320.389 1.341 20 10 DDCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(O)c1O ZINC000287583729 409059800 /nfs/dbraw/zinc/05/98/00/409059800.db2.gz XPVHQVJUULKPCZ-NWDGAFQWSA-N 1 2 306.362 1.033 20 10 DDCDLO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(F)c(F)c1O ZINC000289621305 409283406 /nfs/dbraw/zinc/28/34/06/409283406.db2.gz DQDPJXUCXBTWOT-SECBINFHSA-N 1 2 312.320 1.495 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N)n(C)n2)cc1 ZINC000295153632 409347961 /nfs/dbraw/zinc/34/79/61/409347961.db2.gz GIVPBPWAQHAIPL-CQSZACIVSA-N 1 2 300.410 1.800 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(N)n(C)n2)cc1 ZINC000295153632 409347967 /nfs/dbraw/zinc/34/79/67/409347967.db2.gz GIVPBPWAQHAIPL-CQSZACIVSA-N 1 2 300.410 1.800 20 10 DDCDLO COCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](C)C(N)=O ZINC000295431839 409477766 /nfs/dbraw/zinc/47/77/66/409477766.db2.gz TURCEORGLAWQKK-QMMMGPOBSA-N 1 2 304.749 1.507 20 10 DDCDLO COCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](C)C(N)=O ZINC000295431839 409477774 /nfs/dbraw/zinc/47/77/74/409477774.db2.gz TURCEORGLAWQKK-QMMMGPOBSA-N 1 2 304.749 1.507 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1OC ZINC000377706095 418714130 /nfs/dbraw/zinc/71/41/30/418714130.db2.gz TVESTIZGUJQXEY-DZGCQCFKSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1OC ZINC000377706095 418714131 /nfs/dbraw/zinc/71/41/31/418714131.db2.gz TVESTIZGUJQXEY-DZGCQCFKSA-N 1 2 323.389 1.789 20 10 DDCDLO O=c1n(CC(F)F)nc2n1CC[N@@H+](Cc1ccccc1O)C2 ZINC000375917344 418690759 /nfs/dbraw/zinc/69/07/59/418690759.db2.gz FPDQHRYDKVBPMD-UHFFFAOYSA-N 1 2 310.304 1.031 20 10 DDCDLO O=c1n(CC(F)F)nc2n1CC[N@H+](Cc1ccccc1O)C2 ZINC000375917344 418690762 /nfs/dbraw/zinc/69/07/62/418690762.db2.gz FPDQHRYDKVBPMD-UHFFFAOYSA-N 1 2 310.304 1.031 20 10 DDCDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000362240511 418751525 /nfs/dbraw/zinc/75/15/25/418751525.db2.gz UYOVVUDEPPGXEK-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000362240511 418751527 /nfs/dbraw/zinc/75/15/27/418751527.db2.gz UYOVVUDEPPGXEK-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO CN1C(=O)[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378440553 418723540 /nfs/dbraw/zinc/72/35/40/418723540.db2.gz BXEABAMNWKNDLA-LLVKDONJSA-N 1 2 309.753 1.124 20 10 DDCDLO CN1C(=O)[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378440553 418723542 /nfs/dbraw/zinc/72/35/42/418723542.db2.gz BXEABAMNWKNDLA-LLVKDONJSA-N 1 2 309.753 1.124 20 10 DDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)c1O ZINC000371471489 418793972 /nfs/dbraw/zinc/79/39/72/418793972.db2.gz UVNZDYWDUCAUCX-GFCCVEGCSA-N 1 2 323.780 1.432 20 10 DDCDLO O=S(=O)(C1CC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000529641619 421548102 /nfs/dbraw/zinc/54/81/02/421548102.db2.gz VIPFVPDHZORKND-UHFFFAOYSA-N 1 2 314.382 1.141 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1c[nH+]cn1C ZINC000189162551 522251701 /nfs/dbraw/zinc/25/17/01/522251701.db2.gz WKTQFRNRWJEYGE-UHFFFAOYSA-N 1 2 314.389 1.844 20 10 DDCDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000121980596 696718016 /nfs/dbraw/zinc/71/80/16/696718016.db2.gz MGPUXTMJASEKNL-CYBMUJFWSA-N 1 2 323.412 1.871 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccccc1O ZINC000079312087 696459678 /nfs/dbraw/zinc/45/96/78/696459678.db2.gz SYSFYAODWXCSOS-CYBMUJFWSA-N 1 2 307.394 1.254 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000160994242 697320979 /nfs/dbraw/zinc/32/09/79/697320979.db2.gz MGFLRJGUKHNFQW-OAHLLOKOSA-N 1 2 324.808 1.869 20 10 DDCDLO O=C(N1CCCC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778995193 698389614 /nfs/dbraw/zinc/38/96/14/698389614.db2.gz RRRWRCBFLHVCOV-UHFFFAOYSA-N 1 2 307.369 1.865 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000783703797 698868673 /nfs/dbraw/zinc/86/86/73/698868673.db2.gz FCECTCOEFUYHGS-HIFRSBDPSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000783703797 698868678 /nfs/dbraw/zinc/86/86/78/698868678.db2.gz FCECTCOEFUYHGS-HIFRSBDPSA-N 1 2 309.362 1.289 20 10 DDCDLO C[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccccc1O ZINC000732203578 699549956 /nfs/dbraw/zinc/54/99/56/699549956.db2.gz XDWCSTAGLJNYOK-UHFFFAOYSA-N 1 2 318.398 1.885 20 10 DDCDLO C[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccccc1O ZINC000732203578 699549957 /nfs/dbraw/zinc/54/99/57/699549957.db2.gz XDWCSTAGLJNYOK-UHFFFAOYSA-N 1 2 318.398 1.885 20 10 DDCDLO CCOCCOC[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000792197164 699682255 /nfs/dbraw/zinc/68/22/55/699682255.db2.gz YTAWFIPOPHGRFW-GFCCVEGCSA-N 1 2 321.776 1.688 20 10 DDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754739125 700523737 /nfs/dbraw/zinc/52/37/37/700523737.db2.gz JYSRQZBRCWKYCM-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754739125 700523738 /nfs/dbraw/zinc/52/37/38/700523738.db2.gz JYSRQZBRCWKYCM-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)c(OC)c1 ZINC000879463897 706686883 /nfs/dbraw/zinc/68/68/83/706686883.db2.gz URQDPIBWNFDGSD-ZDUSSCGKSA-N 1 2 321.421 1.303 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)S(C)(=O)=O)cc1 ZINC000844401420 703026555 /nfs/dbraw/zinc/02/65/55/703026555.db2.gz LBZFZKYIPKAXAD-CYBMUJFWSA-N 1 2 314.451 1.496 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](C)S(C)(=O)=O)cc1 ZINC000844401420 703026557 /nfs/dbraw/zinc/02/65/57/703026557.db2.gz LBZFZKYIPKAXAD-CYBMUJFWSA-N 1 2 314.451 1.496 20 10 DDCDLO Cn1cnnc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000848924853 703603885 /nfs/dbraw/zinc/60/38/85/703603885.db2.gz DPCUZGKDGOSNFG-UHFFFAOYSA-N 1 2 307.785 1.496 20 10 DDCDLO COc1cc(C[NH2+]Cc2nnn(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850281328 703720682 /nfs/dbraw/zinc/72/06/82/703720682.db2.gz RAOBRRBSRFIQCN-UHFFFAOYSA-N 1 2 305.382 1.512 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535297 705728387 /nfs/dbraw/zinc/72/83/87/705728387.db2.gz IEYJBXZCMAEXIV-MJSXRHKHSA-N 1 2 303.406 1.342 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535297 705728389 /nfs/dbraw/zinc/72/83/89/705728389.db2.gz IEYJBXZCMAEXIV-MJSXRHKHSA-N 1 2 303.406 1.342 20 10 DDCDLO CCN1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877340391 706070264 /nfs/dbraw/zinc/07/02/64/706070264.db2.gz MFETXZNBQOXFFU-UHFFFAOYSA-N 1 2 317.433 1.312 20 10 DDCDLO CCN1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877340391 706070268 /nfs/dbraw/zinc/07/02/68/706070268.db2.gz MFETXZNBQOXFFU-UHFFFAOYSA-N 1 2 317.433 1.312 20 10 DDCDLO CSCC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)N(C)C ZINC000877536125 706135188 /nfs/dbraw/zinc/13/51/88/706135188.db2.gz XDMUEZQFJZGCLZ-NSHDSACASA-N 1 2 318.389 1.970 20 10 DDCDLO OCc1cn([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877551633 706140456 /nfs/dbraw/zinc/14/04/56/706140456.db2.gz IBOVMRXKUVKVQR-GFCCVEGCSA-N 1 2 324.331 1.591 20 10 DDCDLO OCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877551633 706140457 /nfs/dbraw/zinc/14/04/57/706140457.db2.gz IBOVMRXKUVKVQR-GFCCVEGCSA-N 1 2 324.331 1.591 20 10 DDCDLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC000877793248 706217192 /nfs/dbraw/zinc/21/71/92/706217192.db2.gz NGFBLKGQXSSELZ-MNOVXSKESA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC000877793248 706217193 /nfs/dbraw/zinc/21/71/93/706217193.db2.gz NGFBLKGQXSSELZ-MNOVXSKESA-N 1 2 315.822 1.912 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000872704679 707564846 /nfs/dbraw/zinc/56/48/46/707564846.db2.gz AGNKGVXUTVHFDI-MRXNPFEDSA-N 1 2 323.345 1.275 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000872704679 707564849 /nfs/dbraw/zinc/56/48/49/707564849.db2.gz AGNKGVXUTVHFDI-MRXNPFEDSA-N 1 2 323.345 1.275 20 10 DDCDLO CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883160653 707943885 /nfs/dbraw/zinc/94/38/85/707943885.db2.gz WXGVNFYRZAUKAE-ZDUSSCGKSA-N 1 2 302.365 1.853 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC([NH+]2CCOCC2)CC1 ZINC000898799010 708871686 /nfs/dbraw/zinc/87/16/86/708871686.db2.gz WGODNUNUYLYIDY-UHFFFAOYSA-N 1 2 324.352 1.174 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000895026675 711374792 /nfs/dbraw/zinc/37/47/92/711374792.db2.gz YSSZSRVYRZWESR-GHMZBOCLSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000895026675 711374795 /nfs/dbraw/zinc/37/47/95/711374795.db2.gz YSSZSRVYRZWESR-GHMZBOCLSA-N 1 2 300.349 1.557 20 10 DDCDLO COc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(O)c1OC ZINC000895135966 711429391 /nfs/dbraw/zinc/42/93/91/711429391.db2.gz PQYSWWVHEMAFFB-GMTAPVOTSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(O)c1OC ZINC000895135966 711429392 /nfs/dbraw/zinc/42/93/92/711429392.db2.gz PQYSWWVHEMAFFB-GMTAPVOTSA-N 1 2 308.378 1.507 20 10 DDCDLO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000895809977 711612967 /nfs/dbraw/zinc/61/29/67/711612967.db2.gz DOCAOIIHBIWTOC-UHFFFAOYSA-N 1 2 320.361 1.184 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168067278 741165783 /nfs/dbraw/zinc/16/57/83/741165783.db2.gz SVFWDSYUQRBFHP-DRZSPHRISA-N 1 2 309.362 1.339 20 10 DDCDLO O=C1COC2(C[NH+](Cc3ccccc3O)C2)CN1CC(F)F ZINC001272618667 846417299 /nfs/dbraw/zinc/41/72/99/846417299.db2.gz LYJNUKCGZBTOJS-UHFFFAOYSA-N 1 2 312.316 1.071 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@H]1C(N)=O ZINC001139129113 860298052 /nfs/dbraw/zinc/29/80/52/860298052.db2.gz NGZQMKWUUUBYRO-ZDUSSCGKSA-N 1 2 316.357 1.647 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@H]1C(N)=O ZINC001139129113 860298062 /nfs/dbraw/zinc/29/80/62/860298062.db2.gz NGZQMKWUUUBYRO-ZDUSSCGKSA-N 1 2 316.357 1.647 20 10 DDCDLO Fc1cc(N2CCOCC2)ccc1CN1CCn2c[nH+]cc2C1 ZINC001140663477 860670485 /nfs/dbraw/zinc/67/04/85/860670485.db2.gz GHUIJFFHFQVDAK-UHFFFAOYSA-N 1 2 316.380 1.875 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c(OC)c1 ZINC001141032425 860769066 /nfs/dbraw/zinc/76/90/66/860769066.db2.gz BMLZFCBBKJABTP-UHFFFAOYSA-N 1 2 320.389 1.654 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC(=O)NC3(CCCC3)C2)c(OC)c1 ZINC001141032425 860769068 /nfs/dbraw/zinc/76/90/68/860769068.db2.gz BMLZFCBBKJABTP-UHFFFAOYSA-N 1 2 320.389 1.654 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141160552 860799609 /nfs/dbraw/zinc/79/96/09/860799609.db2.gz YVATXWKTMCHCRY-LBPRGKRZSA-N 1 2 303.362 1.577 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141160552 860799614 /nfs/dbraw/zinc/79/96/14/860799614.db2.gz YVATXWKTMCHCRY-LBPRGKRZSA-N 1 2 303.362 1.577 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001319712596 866244267 /nfs/dbraw/zinc/24/42/67/866244267.db2.gz OISYXJPMSZFINN-GOSISDBHSA-N 1 2 317.433 1.624 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001319712596 866244285 /nfs/dbraw/zinc/24/42/85/866244285.db2.gz OISYXJPMSZFINN-GOSISDBHSA-N 1 2 317.433 1.624 20 10 DDCDLO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)n1cc[nH+]c1 ZINC001323240781 866463409 /nfs/dbraw/zinc/46/34/09/866463409.db2.gz QVLTVLHCOFCPHD-LBPRGKRZSA-N 1 2 300.362 1.936 20 10 DDCDLO CCOc1ccc(N2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC001321205555 867401987 /nfs/dbraw/zinc/40/19/87/867401987.db2.gz WHROCYJRCSIRPE-OAHLLOKOSA-N 1 2 317.389 1.013 20 10 DDCDLO COC(=O)COc1ccc(N(C)Cc2ccc[nH+]c2N)cc1 ZINC001205391911 871531273 /nfs/dbraw/zinc/53/12/73/871531273.db2.gz WPDSZXUIGXZWNE-UHFFFAOYSA-N 1 2 301.346 1.852 20 10 DDCDLO CC[C@H](F)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001346761393 873883916 /nfs/dbraw/zinc/88/39/16/873883916.db2.gz ACAQZZZNYQJSDI-INIZCTEOSA-N 1 2 323.412 1.682 20 10 DDCDLO CCOc1ccc(N2CC3(CC[N@@H+]3CC(=O)N(C)C)C2)cc1 ZINC001276925675 881121576 /nfs/dbraw/zinc/12/15/76/881121576.db2.gz GPESMUIVGCIQHE-UHFFFAOYSA-N 1 2 303.406 1.438 20 10 DDCDLO CCOc1ccc(N2CC3(CC[N@H+]3CC(=O)N(C)C)C2)cc1 ZINC001276925675 881121582 /nfs/dbraw/zinc/12/15/82/881121582.db2.gz GPESMUIVGCIQHE-UHFFFAOYSA-N 1 2 303.406 1.438 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCN1C ZINC001231870063 885916375 /nfs/dbraw/zinc/91/63/75/885916375.db2.gz HTDHVNXYLJZKNO-CYBMUJFWSA-N 1 2 312.797 1.643 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCN1C ZINC001231870063 885916392 /nfs/dbraw/zinc/91/63/92/885916392.db2.gz HTDHVNXYLJZKNO-CYBMUJFWSA-N 1 2 312.797 1.643 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1OC ZINC001236749387 889329396 /nfs/dbraw/zinc/32/93/96/889329396.db2.gz GYVURJGEJYNSPP-GJZGRUSLSA-N 1 2 317.332 1.654 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1OC ZINC001236749387 889329410 /nfs/dbraw/zinc/32/94/10/889329410.db2.gz GYVURJGEJYNSPP-GJZGRUSLSA-N 1 2 317.332 1.654 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237121119 889509177 /nfs/dbraw/zinc/50/91/77/889509177.db2.gz VAUWYESAPVMIHR-VIFPVBQESA-N 1 2 304.268 1.741 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237121119 889509185 /nfs/dbraw/zinc/50/91/85/889509185.db2.gz VAUWYESAPVMIHR-VIFPVBQESA-N 1 2 304.268 1.741 20 10 DDCDLO CN1CCO[C@H]2C[N@H+](Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237939481 889948479 /nfs/dbraw/zinc/94/84/79/889948479.db2.gz XEPZBYPLPUKMIA-OCCSQVGLSA-N 1 2 300.761 1.700 20 10 DDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237939481 889948486 /nfs/dbraw/zinc/94/84/86/889948486.db2.gz XEPZBYPLPUKMIA-OCCSQVGLSA-N 1 2 300.761 1.700 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC001263150976 900516672 /nfs/dbraw/zinc/51/66/72/900516672.db2.gz PQXHPWLULUHGIS-ZDUSSCGKSA-N 1 2 315.364 1.572 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1F ZINC000092735175 185337497 /nfs/dbraw/zinc/33/74/97/185337497.db2.gz JRGTVYCCQITPFQ-HNNXBMFYSA-N 1 2 309.385 1.358 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1F ZINC000092735175 185337498 /nfs/dbraw/zinc/33/74/98/185337498.db2.gz JRGTVYCCQITPFQ-HNNXBMFYSA-N 1 2 309.385 1.358 20 10 DDCDLO O=C1NC(=O)C2(CC[NH+](Cc3cccc(Cl)c3O)CC2)N1 ZINC000272750455 130059442 /nfs/dbraw/zinc/05/94/42/130059442.db2.gz JTLYVASIMSFKCF-UHFFFAOYSA-N 1 2 309.753 1.220 20 10 DDCDLO COc1c(O)c(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293737506 409171901 /nfs/dbraw/zinc/17/19/01/409171901.db2.gz VLPFAECHGJXVOL-PHIMTYICSA-N 1 2 309.366 1.833 20 10 DDCDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293737506 409171902 /nfs/dbraw/zinc/17/19/02/409171902.db2.gz VLPFAECHGJXVOL-PHIMTYICSA-N 1 2 309.366 1.833 20 10 DDCDLO CN1CCC[N@H+](Cc2cc(Br)ccc2O)CC1=O ZINC000191664683 222106595 /nfs/dbraw/zinc/10/65/95/222106595.db2.gz MOSVLXNBSZABDQ-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO CN1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1=O ZINC000191664683 222106597 /nfs/dbraw/zinc/10/65/97/222106597.db2.gz MOSVLXNBSZABDQ-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1OC ZINC000377706106 418714077 /nfs/dbraw/zinc/71/40/77/418714077.db2.gz TVESTIZGUJQXEY-ZFWWWQNUSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1OC ZINC000377706106 418714079 /nfs/dbraw/zinc/71/40/79/418714079.db2.gz TVESTIZGUJQXEY-ZFWWWQNUSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(O)c1 ZINC000378120882 418718993 /nfs/dbraw/zinc/71/89/93/418718993.db2.gz TXQRCFOQBUISEA-NSHDSACASA-N 1 2 316.361 1.481 20 10 DDCDLO COc1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(O)c1 ZINC000378120882 418718994 /nfs/dbraw/zinc/71/89/94/418718994.db2.gz TXQRCFOQBUISEA-NSHDSACASA-N 1 2 316.361 1.481 20 10 DDCDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(O)c1O ZINC000365772432 418907130 /nfs/dbraw/zinc/90/71/30/418907130.db2.gz ABNVHRYIFQLKJY-GFCCVEGCSA-N 1 2 313.357 1.892 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1OC ZINC000180562022 522775312 /nfs/dbraw/zinc/77/53/12/522775312.db2.gz LWQJXPHCRPZJDG-GFCCVEGCSA-N 1 2 318.377 1.875 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1OC ZINC000180562022 522775319 /nfs/dbraw/zinc/77/53/19/522775319.db2.gz LWQJXPHCRPZJDG-GFCCVEGCSA-N 1 2 318.377 1.875 20 10 DDCDLO C[N@H+](CCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000156086693 522924052 /nfs/dbraw/zinc/92/40/52/522924052.db2.gz HUWHRCFIZRIDIG-UHFFFAOYSA-N 1 2 322.224 1.631 20 10 DDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000156086693 522924061 /nfs/dbraw/zinc/92/40/61/522924061.db2.gz HUWHRCFIZRIDIG-UHFFFAOYSA-N 1 2 322.224 1.631 20 10 DDCDLO CCOCCOC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000272367789 535642140 /nfs/dbraw/zinc/64/21/40/535642140.db2.gz AWVLDOYQTDDSCK-UHFFFAOYSA-N 1 2 311.378 1.647 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H](C)c2ncnn2C)ccc1[N+](=O)[O-] ZINC000775108064 697963858 /nfs/dbraw/zinc/96/38/58/697963858.db2.gz BBXFVUSUKJMKTR-MRVPVSSYSA-N 1 2 307.310 1.288 20 10 DDCDLO CN1CC[C@@H]([N@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000707140386 699245913 /nfs/dbraw/zinc/24/59/13/699245913.db2.gz QDDRUFIRQXCXJD-LLVKDONJSA-N 1 2 313.195 1.817 20 10 DDCDLO CN1CC[C@@H]([N@@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000707140386 699245915 /nfs/dbraw/zinc/24/59/15/699245915.db2.gz QDDRUFIRQXCXJD-LLVKDONJSA-N 1 2 313.195 1.817 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nnnn2C2CC2)c1 ZINC000756730793 700638440 /nfs/dbraw/zinc/63/84/40/700638440.db2.gz BTLPWUUGHBDVRW-VIFPVBQESA-N 1 2 317.349 1.351 20 10 DDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448701 701177994 /nfs/dbraw/zinc/17/79/94/701177994.db2.gz VNIQMKLDRKXIQK-DUSCWNSZSA-N 1 2 311.403 1.159 20 10 DDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448701 701177996 /nfs/dbraw/zinc/17/79/96/701177996.db2.gz VNIQMKLDRKXIQK-DUSCWNSZSA-N 1 2 311.403 1.159 20 10 DDCDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(F)cc(F)c1O ZINC000769989119 701263508 /nfs/dbraw/zinc/26/35/08/701263508.db2.gz POXSMTNQLFTJCH-QMMMGPOBSA-N 1 2 309.320 1.918 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c1O ZINC000811502392 701994596 /nfs/dbraw/zinc/99/45/96/701994596.db2.gz SBXASISGDFOADW-HNNXBMFYSA-N 1 2 305.374 1.971 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c1O ZINC000811502392 701994600 /nfs/dbraw/zinc/99/46/00/701994600.db2.gz SBXASISGDFOADW-HNNXBMFYSA-N 1 2 305.374 1.971 20 10 DDCDLO CCN1OC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000851717011 703835865 /nfs/dbraw/zinc/83/58/65/703835865.db2.gz UGKIJSZROJZZFC-MRXNPFEDSA-N 1 2 319.405 1.117 20 10 DDCDLO CCN1OC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000851717011 703835867 /nfs/dbraw/zinc/83/58/67/703835867.db2.gz UGKIJSZROJZZFC-MRXNPFEDSA-N 1 2 319.405 1.117 20 10 DDCDLO CCOC(=O)C[N@H+](CCC(=O)NC(C)C)Cc1ccccc1O ZINC000823580928 705271526 /nfs/dbraw/zinc/27/15/26/705271526.db2.gz BETHFERWNCMPCB-UHFFFAOYSA-N 1 2 322.405 1.672 20 10 DDCDLO CCOC(=O)C[N@@H+](CCC(=O)NC(C)C)Cc1ccccc1O ZINC000823580928 705271528 /nfs/dbraw/zinc/27/15/28/705271528.db2.gz BETHFERWNCMPCB-UHFFFAOYSA-N 1 2 322.405 1.672 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@H](C(=O)OC)C1 ZINC000877183768 706009737 /nfs/dbraw/zinc/00/97/37/706009737.db2.gz HXJSQBCJGLAURY-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)[C@H](C(=O)OC)C1 ZINC000877183768 706009740 /nfs/dbraw/zinc/00/97/40/706009740.db2.gz HXJSQBCJGLAURY-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO C[N@@H+]1CCN(Cc2cccc(Br)c2O)[C@@H](CO)C1 ZINC000877643469 706167587 /nfs/dbraw/zinc/16/75/87/706167587.db2.gz FQVQHOPXBFJFGE-LLVKDONJSA-N 1 2 315.211 1.263 20 10 DDCDLO C[N@H+]1CCN(Cc2cccc(Br)c2O)[C@@H](CO)C1 ZINC000877643469 706167588 /nfs/dbraw/zinc/16/75/88/706167588.db2.gz FQVQHOPXBFJFGE-LLVKDONJSA-N 1 2 315.211 1.263 20 10 DDCDLO OCCCN1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883132666 707936211 /nfs/dbraw/zinc/93/62/11/707936211.db2.gz ZVHHCJDETXCMNV-ZDUSSCGKSA-N 1 2 300.349 1.607 20 10 DDCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000910948327 710127262 /nfs/dbraw/zinc/12/72/62/710127262.db2.gz YMNOSSVLURIAEQ-HNNXBMFYSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000910948327 710127264 /nfs/dbraw/zinc/12/72/64/710127264.db2.gz YMNOSSVLURIAEQ-HNNXBMFYSA-N 1 2 320.389 1.357 20 10 DDCDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)c(O)c1OC ZINC000892150785 710381378 /nfs/dbraw/zinc/38/13/78/710381378.db2.gz MSZZBXQMAYKOIQ-LBPRGKRZSA-N 1 2 318.377 1.875 20 10 DDCDLO COc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)c(O)c1OC ZINC000892150785 710381380 /nfs/dbraw/zinc/38/13/80/710381380.db2.gz MSZZBXQMAYKOIQ-LBPRGKRZSA-N 1 2 318.377 1.875 20 10 DDCDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894025504 710933755 /nfs/dbraw/zinc/93/37/55/710933755.db2.gz CJCRZBNZMMFMSV-RKDXNWHRSA-N 1 2 307.362 1.924 20 10 DDCDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894025504 710933760 /nfs/dbraw/zinc/93/37/60/710933760.db2.gz CJCRZBNZMMFMSV-RKDXNWHRSA-N 1 2 307.362 1.924 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)c(O)c1OC ZINC000894252973 711037841 /nfs/dbraw/zinc/03/78/41/711037841.db2.gz DURDTGVMFDESHT-MRXNPFEDSA-N 1 2 309.362 1.401 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@]23CCOC3)c(O)c1OC ZINC000894252973 711037843 /nfs/dbraw/zinc/03/78/43/711037843.db2.gz DURDTGVMFDESHT-MRXNPFEDSA-N 1 2 309.362 1.401 20 10 DDCDLO COc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(O)c1OC ZINC000895135967 711429252 /nfs/dbraw/zinc/42/92/52/711429252.db2.gz PQYSWWVHEMAFFB-HBNTYKKESA-N 1 2 308.378 1.507 20 10 DDCDLO COc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(O)c1OC ZINC000895135967 711429255 /nfs/dbraw/zinc/42/92/55/711429255.db2.gz PQYSWWVHEMAFFB-HBNTYKKESA-N 1 2 308.378 1.507 20 10 DDCDLO Nc1ccc(N(CCO)c2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001212668271 776814895 /nfs/dbraw/zinc/81/48/95/776814895.db2.gz QYNCHENTSHWEEX-UHFFFAOYSA-N 1 2 313.401 1.576 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001269916907 842150688 /nfs/dbraw/zinc/15/06/88/842150688.db2.gz ALLZHZYZZXCEIO-KBPBESRZSA-N 1 2 317.389 1.724 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001269916907 842150692 /nfs/dbraw/zinc/15/06/92/842150692.db2.gz ALLZHZYZZXCEIO-KBPBESRZSA-N 1 2 317.389 1.724 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(CCF)CC1 ZINC001139128917 860297809 /nfs/dbraw/zinc/29/78/09/860297809.db2.gz JBQFKQVFOCMRPT-UHFFFAOYSA-N 1 2 320.364 1.894 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001203936535 870844411 /nfs/dbraw/zinc/84/44/11/870844411.db2.gz GBQQYUNRBDZQOQ-XGBSXSJOSA-N 1 2 318.417 1.905 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1 ZINC001203936535 870844420 /nfs/dbraw/zinc/84/44/20/870844420.db2.gz GBQQYUNRBDZQOQ-XGBSXSJOSA-N 1 2 318.417 1.905 20 10 DDCDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204345791 871066105 /nfs/dbraw/zinc/06/61/05/871066105.db2.gz XQGMCOHTWLUACV-CYBMUJFWSA-N 1 2 322.405 1.987 20 10 DDCDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204345791 871066118 /nfs/dbraw/zinc/06/61/18/871066118.db2.gz XQGMCOHTWLUACV-CYBMUJFWSA-N 1 2 322.405 1.987 20 10 DDCDLO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351788644 876432340 /nfs/dbraw/zinc/43/23/40/876432340.db2.gz YMRDPQMNDYZKPP-ZFWWWQNUSA-N 1 2 320.437 1.168 20 10 DDCDLO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CN(C)CC[N@H+]1C ZINC001351788644 876432345 /nfs/dbraw/zinc/43/23/45/876432345.db2.gz YMRDPQMNDYZKPP-ZFWWWQNUSA-N 1 2 320.437 1.168 20 10 DDCDLO C[C@@H]([NH3+])C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218918341 877805231 /nfs/dbraw/zinc/80/52/31/877805231.db2.gz ANUJPIYLXCAMHF-MRVPVSSYSA-N 1 2 310.309 1.453 20 10 DDCDLO Oc1cc(CN2CC[NH+](Cc3cccnc3)CC2)cc(O)c1O ZINC001233010619 886720307 /nfs/dbraw/zinc/72/03/07/886720307.db2.gz RQBSRHMOVZGHTH-UHFFFAOYSA-N 1 2 315.373 1.516 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233452266 886999420 /nfs/dbraw/zinc/99/94/20/886999420.db2.gz PMQMLNPYGZCWLN-GFCCVEGCSA-N 1 2 319.279 1.785 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233452266 886999429 /nfs/dbraw/zinc/99/94/29/886999429.db2.gz PMQMLNPYGZCWLN-GFCCVEGCSA-N 1 2 319.279 1.785 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1Cl ZINC001236801160 889361163 /nfs/dbraw/zinc/36/11/63/889361163.db2.gz GIPFKAGZJLDGJY-DOMZBBRYSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1Cl ZINC001236801160 889361173 /nfs/dbraw/zinc/36/11/73/889361173.db2.gz GIPFKAGZJLDGJY-DOMZBBRYSA-N 1 2 315.797 1.619 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC)c(O)c1 ZINC001237046856 889478047 /nfs/dbraw/zinc/47/80/47/889478047.db2.gz HFMJZMDEGJYKSH-CQSZACIVSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC)c(O)c1 ZINC001237046856 889478052 /nfs/dbraw/zinc/47/80/52/889478052.db2.gz HFMJZMDEGJYKSH-CQSZACIVSA-N 1 2 323.389 1.945 20 10 DDCDLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255724 890287249 /nfs/dbraw/zinc/28/72/49/890287249.db2.gz XIGGJYGHQAVUHL-UHFFFAOYSA-N 1 2 318.352 1.515 20 10 DDCDLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255724 890287270 /nfs/dbraw/zinc/28/72/70/890287270.db2.gz XIGGJYGHQAVUHL-UHFFFAOYSA-N 1 2 318.352 1.515 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)[C@@H](C(=O)OC)C1 ZINC000272570793 284063053 /nfs/dbraw/zinc/06/30/53/284063053.db2.gz VVIBSPGZKZIGSC-DGCLKSJQSA-N 1 2 307.346 1.319 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@@H](C(=O)OC)C1 ZINC000272570793 284063056 /nfs/dbraw/zinc/06/30/56/284063056.db2.gz VVIBSPGZKZIGSC-DGCLKSJQSA-N 1 2 307.346 1.319 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000298243239 132052157 /nfs/dbraw/zinc/05/21/57/132052157.db2.gz SIIPZIMZUDFCDQ-IRXDYDNUSA-N 1 2 317.433 1.622 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000298243239 132052158 /nfs/dbraw/zinc/05/21/58/132052158.db2.gz SIIPZIMZUDFCDQ-IRXDYDNUSA-N 1 2 317.433 1.622 20 10 DDCDLO CCCNC(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866521 407095120 /nfs/dbraw/zinc/09/51/20/407095120.db2.gz FZJBBDUPSWCZHI-UHFFFAOYSA-N 1 2 309.385 1.483 20 10 DDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CN1CCOCC1 ZINC000271821460 407733073 /nfs/dbraw/zinc/73/30/73/407733073.db2.gz NLEQXZCXXNTYFK-CYBMUJFWSA-N 1 2 314.813 1.171 20 10 DDCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CN1CCOCC1 ZINC000271821460 407733076 /nfs/dbraw/zinc/73/30/76/407733076.db2.gz NLEQXZCXXNTYFK-CYBMUJFWSA-N 1 2 314.813 1.171 20 10 DDCDLO COC(=O)CN(CCn1cc[nH+]c1)Cc1cc(Cl)ccc1O ZINC000270846880 408706301 /nfs/dbraw/zinc/70/63/01/408706301.db2.gz HBUQSDCQSGZGTR-UHFFFAOYSA-N 1 2 323.780 1.917 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C=O)CC2)c1O ZINC000297827014 410014037 /nfs/dbraw/zinc/01/40/37/410014037.db2.gz ZISWIADXZPMROX-UHFFFAOYSA-N 1 2 310.781 1.912 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C=O)CC2)c1O ZINC000297827014 410014044 /nfs/dbraw/zinc/01/40/44/410014044.db2.gz ZISWIADXZPMROX-UHFFFAOYSA-N 1 2 310.781 1.912 20 10 DDCDLO O=C(NCc1ccccc1O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368300068 418717525 /nfs/dbraw/zinc/71/75/25/418717525.db2.gz ULWLGYRDJIWNTK-CQSZACIVSA-N 1 2 305.378 1.055 20 10 DDCDLO O=C(NCc1ccccc1O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368300068 418717528 /nfs/dbraw/zinc/71/75/28/418717528.db2.gz ULWLGYRDJIWNTK-CQSZACIVSA-N 1 2 305.378 1.055 20 10 DDCDLO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000273456632 277629827 /nfs/dbraw/zinc/62/98/27/277629827.db2.gz HDWHBFJRABDPQQ-GWCFXTLKSA-N 1 2 307.350 1.960 20 10 DDCDLO Cc1cccc(C[N@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1O ZINC000180332211 524399595 /nfs/dbraw/zinc/39/95/95/524399595.db2.gz FWHDDMHDPQSURJ-UHFFFAOYSA-N 1 2 300.362 1.283 20 10 DDCDLO Cc1cccc(C[N@@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1O ZINC000180332211 524399607 /nfs/dbraw/zinc/39/96/07/524399607.db2.gz FWHDDMHDPQSURJ-UHFFFAOYSA-N 1 2 300.362 1.283 20 10 DDCDLO COCC[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000135821721 696852228 /nfs/dbraw/zinc/85/22/28/696852228.db2.gz YOFRIFGDDAOUPU-UHFFFAOYSA-N 1 2 301.770 1.689 20 10 DDCDLO COCC[N@@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000135821721 696852232 /nfs/dbraw/zinc/85/22/32/696852232.db2.gz YOFRIFGDDAOUPU-UHFFFAOYSA-N 1 2 301.770 1.689 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000140697284 696866974 /nfs/dbraw/zinc/86/69/74/696866974.db2.gz HBQPSMJHZXKHNY-CQSZACIVSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000140697284 696866976 /nfs/dbraw/zinc/86/69/76/696866976.db2.gz HBQPSMJHZXKHNY-CQSZACIVSA-N 1 2 319.449 1.868 20 10 DDCDLO COCCc1noc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000182368877 697474159 /nfs/dbraw/zinc/47/41/59/697474159.db2.gz RUHOSPLJIZSEGV-JTQLQIEISA-N 1 2 307.350 1.824 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000768224823 701164430 /nfs/dbraw/zinc/16/44/30/701164430.db2.gz AMBHLZZHPGIDDQ-UHFFFAOYSA-N 1 2 319.405 1.734 20 10 DDCDLO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000769468398 701246376 /nfs/dbraw/zinc/24/63/76/701246376.db2.gz HHHBAQNXNUSEHM-SNVBAGLBSA-N 1 2 303.811 1.912 20 10 DDCDLO C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000769468398 701246377 /nfs/dbraw/zinc/24/63/77/701246377.db2.gz HHHBAQNXNUSEHM-SNVBAGLBSA-N 1 2 303.811 1.912 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868055401 701916527 /nfs/dbraw/zinc/91/65/27/701916527.db2.gz JCUUITIYIBFCDT-STQMWFEESA-N 1 2 307.394 1.473 20 10 DDCDLO CCn1ncc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000846051939 703231183 /nfs/dbraw/zinc/23/11/83/703231183.db2.gz NEYHUAKFNOSEEX-UHFFFAOYSA-N 1 2 303.410 1.875 20 10 DDCDLO CCn1ncc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000846051939 703231186 /nfs/dbraw/zinc/23/11/86/703231186.db2.gz NEYHUAKFNOSEEX-UHFFFAOYSA-N 1 2 303.410 1.875 20 10 DDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1cc[nH+]c1 ZINC000819696217 704160583 /nfs/dbraw/zinc/16/05/83/704160583.db2.gz PKVHNFVHVXGFHR-UHFFFAOYSA-N 1 2 317.345 1.181 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858339176 704696979 /nfs/dbraw/zinc/69/69/79/704696979.db2.gz QTSWYJCEYGLEQA-NSHDSACASA-N 1 2 315.211 1.311 20 10 DDCDLO OCCO[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000826940281 705895117 /nfs/dbraw/zinc/89/51/17/705895117.db2.gz BPTMFBRRPMGCSX-AWEZNQCLSA-N 1 2 319.760 1.442 20 10 DDCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826985608 705906458 /nfs/dbraw/zinc/90/64/58/705906458.db2.gz ISPNBSAVHXYQGX-PWSUYJOCSA-N 1 2 323.773 1.086 20 10 DDCDLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000877680597 706178637 /nfs/dbraw/zinc/17/86/37/706178637.db2.gz XGSDLXZZAWJCIY-IUCAKERBSA-N 1 2 314.769 1.201 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC000877791321 706215859 /nfs/dbraw/zinc/21/58/59/706215859.db2.gz JEEKPIRFUOZATN-RYUDHWBXSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC000877791321 706215860 /nfs/dbraw/zinc/21/58/60/706215860.db2.gz JEEKPIRFUOZATN-RYUDHWBXSA-N 1 2 315.822 1.912 20 10 DDCDLO COC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891747890 710283319 /nfs/dbraw/zinc/28/33/19/710283319.db2.gz NCUXGXZWEFNGTJ-UHFFFAOYSA-N 1 2 310.350 1.293 20 10 DDCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203880461 747202564 /nfs/dbraw/zinc/20/25/64/747202564.db2.gz SLEUMIZQRJSLCD-SMDDNHRTSA-N 1 2 324.377 1.168 20 10 DDCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203880461 747202567 /nfs/dbraw/zinc/20/25/67/747202567.db2.gz SLEUMIZQRJSLCD-SMDDNHRTSA-N 1 2 324.377 1.168 20 10 DDCDLO COCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089797693 747871835 /nfs/dbraw/zinc/87/18/35/747871835.db2.gz GBEIMCUDJMLRAT-UHFFFAOYSA-N 1 2 318.421 1.691 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CC3(C2)COCC(=O)N3C)cc1Cl ZINC001274217960 852047843 /nfs/dbraw/zinc/04/78/43/852047843.db2.gz XAQKRSFDRCDOMB-UHFFFAOYSA-N 1 2 310.781 1.397 20 10 DDCDLO COC(=O)C1C[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125295 860295041 /nfs/dbraw/zinc/29/50/41/860295041.db2.gz QRWUYIUWPMCMFP-UHFFFAOYSA-N 1 2 303.314 1.412 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(O)c(C)c1O ZINC001140744835 860690468 /nfs/dbraw/zinc/69/04/68/860690468.db2.gz MXVLVYHKYWCUIG-CYBMUJFWSA-N 1 2 318.377 1.281 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140744835 860690470 /nfs/dbraw/zinc/69/04/70/860690470.db2.gz MXVLVYHKYWCUIG-CYBMUJFWSA-N 1 2 318.377 1.281 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001142502274 861165459 /nfs/dbraw/zinc/16/54/59/861165459.db2.gz LZKDEAKXHCCVPR-UHFFFAOYSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1cc(F)c(F)cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC001142502274 861165467 /nfs/dbraw/zinc/16/54/67/861165467.db2.gz LZKDEAKXHCCVPR-UHFFFAOYSA-N 1 2 312.360 1.967 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320990168 867184875 /nfs/dbraw/zinc/18/48/75/867184875.db2.gz YBYHHKQODWXPQQ-JKSUJKDBSA-N 1 2 304.390 1.395 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320990168 867184883 /nfs/dbraw/zinc/18/48/83/867184883.db2.gz YBYHHKQODWXPQQ-JKSUJKDBSA-N 1 2 304.390 1.395 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCC3)CC2)cc1 ZINC001336433301 868940792 /nfs/dbraw/zinc/94/07/92/868940792.db2.gz BKUZPORPHAWIMY-UHFFFAOYSA-N 1 2 303.406 1.440 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276516860 873126076 /nfs/dbraw/zinc/12/60/76/873126076.db2.gz SLFBWYLIZKHVGW-TXEJJXNPSA-N 1 2 321.377 1.180 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001276516860 873126082 /nfs/dbraw/zinc/12/60/82/873126082.db2.gz SLFBWYLIZKHVGW-TXEJJXNPSA-N 1 2 321.377 1.180 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001346449715 873759214 /nfs/dbraw/zinc/75/92/14/873759214.db2.gz HEHJGPROIRRJJS-LLVKDONJSA-N 1 2 303.362 1.944 20 10 DDCDLO COC(=O)/C(C)=C\C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000316708972 879450130 /nfs/dbraw/zinc/45/01/30/879450130.db2.gz GGXCNYQHBUHDOO-ZSOIEALJSA-N 1 2 304.390 1.937 20 10 DDCDLO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277483825 885180086 /nfs/dbraw/zinc/18/00/86/885180086.db2.gz CRTFRTHHHRVELN-BJOHPYRUSA-N 1 2 314.307 1.877 20 10 DDCDLO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277483825 885180099 /nfs/dbraw/zinc/18/00/99/885180099.db2.gz CRTFRTHHHRVELN-BJOHPYRUSA-N 1 2 314.307 1.877 20 10 DDCDLO COC(=O)C1(O)CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233336336 886932736 /nfs/dbraw/zinc/93/27/36/886932736.db2.gz IMBYQOWLOASAHK-UHFFFAOYSA-N 1 2 301.289 1.170 20 10 DDCDLO O=C1CC[N@H+](Cc2cc(O)c(Br)cc2O)CCN1 ZINC001236772742 889347397 /nfs/dbraw/zinc/34/73/97/889347397.db2.gz JLJCTGBQWMQCAA-UHFFFAOYSA-N 1 2 315.167 1.182 20 10 DDCDLO O=C1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CCN1 ZINC001236772742 889347413 /nfs/dbraw/zinc/34/74/13/889347413.db2.gz JLJCTGBQWMQCAA-UHFFFAOYSA-N 1 2 315.167 1.182 20 10 DDCDLO COC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237057534 889487015 /nfs/dbraw/zinc/48/70/15/889487015.db2.gz CIACYWGOGSRJFD-UHFFFAOYSA-N 1 2 307.268 1.938 20 10 DDCDLO COC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237057534 889487019 /nfs/dbraw/zinc/48/70/19/889487019.db2.gz CIACYWGOGSRJFD-UHFFFAOYSA-N 1 2 307.268 1.938 20 10 DDCDLO C[N@H+](Cc1cccc(I)c1O)C1COC1 ZINC001237778832 889843086 /nfs/dbraw/zinc/84/30/86/889843086.db2.gz BYOVBRXZYHAHDF-UHFFFAOYSA-N 1 2 319.142 1.827 20 10 DDCDLO C[N@@H+](Cc1cccc(I)c1O)C1COC1 ZINC001237778832 889843097 /nfs/dbraw/zinc/84/30/97/889843097.db2.gz BYOVBRXZYHAHDF-UHFFFAOYSA-N 1 2 319.142 1.827 20 10 DDCDLO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC001238070843 890014134 /nfs/dbraw/zinc/01/41/34/890014134.db2.gz PYEGYTGCNDABLY-CYBMUJFWSA-N 1 2 301.383 1.849 20 10 DDCDLO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC001238070843 890014150 /nfs/dbraw/zinc/01/41/50/890014150.db2.gz PYEGYTGCNDABLY-CYBMUJFWSA-N 1 2 301.383 1.849 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC000189162580 539252974 /nfs/dbraw/zinc/25/29/74/539252974.db2.gz WJNPYNZOZSYDOT-UHFFFAOYSA-N 1 2 300.362 1.834 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC000189162580 539252975 /nfs/dbraw/zinc/25/29/75/539252975.db2.gz WJNPYNZOZSYDOT-UHFFFAOYSA-N 1 2 300.362 1.834 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000054209673 352683626 /nfs/dbraw/zinc/68/36/26/352683626.db2.gz CPWSSXOFTWSHFK-CQSZACIVSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000054209673 352683631 /nfs/dbraw/zinc/68/36/31/352683631.db2.gz CPWSSXOFTWSHFK-CQSZACIVSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273561399 130136820 /nfs/dbraw/zinc/13/68/20/130136820.db2.gz IHDDFYVVRHNQSY-LKFCYVNXSA-N 1 2 306.322 1.418 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1Cc1ccccc1O ZINC000272570796 407989485 /nfs/dbraw/zinc/98/94/85/407989485.db2.gz VVIBSPGZKZIGSC-WCQYABFASA-N 1 2 307.346 1.319 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1Cc1ccccc1O ZINC000272570796 407989490 /nfs/dbraw/zinc/98/94/90/407989490.db2.gz VVIBSPGZKZIGSC-WCQYABFASA-N 1 2 307.346 1.319 20 10 DDCDLO CCNC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000121574580 408234837 /nfs/dbraw/zinc/23/48/37/408234837.db2.gz BUAAGJHSPHRGNN-UHFFFAOYSA-N 1 2 308.401 1.739 20 10 DDCDLO Cn1cc[nH+]c1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000264155219 408381931 /nfs/dbraw/zinc/38/19/31/408381931.db2.gz KHNKDGDPTXSTFD-UHFFFAOYSA-N 1 2 313.405 1.802 20 10 DDCDLO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(O)c1O ZINC000177667258 408681257 /nfs/dbraw/zinc/68/12/57/408681257.db2.gz QJMXFHFVLPUNTL-CQSZACIVSA-N 1 2 322.405 1.493 20 10 DDCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCNC1=O ZINC000281716684 408916328 /nfs/dbraw/zinc/91/63/28/408916328.db2.gz IFJMZIMUYVRFRO-LLVKDONJSA-N 1 2 309.322 1.019 20 10 DDCDLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000280780365 287015503 /nfs/dbraw/zinc/01/55/03/287015503.db2.gz GVLKVVSGYZOQMR-SSDOTTSWSA-N 1 2 303.265 1.332 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c(O)c1O ZINC000367094417 418559496 /nfs/dbraw/zinc/55/94/96/418559496.db2.gz XXRJKEOJXGJAMV-AWEZNQCLSA-N 1 2 313.357 1.588 20 10 DDCDLO Nc1ccc(CC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000237908876 222209053 /nfs/dbraw/zinc/20/90/53/222209053.db2.gz YHALSFNDNHEESK-UHFFFAOYSA-N 1 2 307.357 1.708 20 10 DDCDLO COc1ccc(N2CCC[N@H+](Cc3cnn(C)n3)CC2)cc1 ZINC000367722731 418627685 /nfs/dbraw/zinc/62/76/85/418627685.db2.gz QXUXHSQPODBMSV-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO COc1ccc(N2CCC[N@@H+](Cc3cnn(C)n3)CC2)cc1 ZINC000367722731 418627688 /nfs/dbraw/zinc/62/76/88/418627688.db2.gz QXUXHSQPODBMSV-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000362375174 418753403 /nfs/dbraw/zinc/75/34/03/418753403.db2.gz BLLFDRHYMNMPLV-ZIAGYGMSSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000362375174 418753405 /nfs/dbraw/zinc/75/34/05/418753405.db2.gz BLLFDRHYMNMPLV-ZIAGYGMSSA-N 1 2 309.362 1.553 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2O)n1 ZINC000369594689 295199344 /nfs/dbraw/zinc/19/93/44/295199344.db2.gz KARAQJGBXHMYHV-JTQLQIEISA-N 1 2 306.297 1.350 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2O)n1 ZINC000369594689 295199347 /nfs/dbraw/zinc/19/93/47/295199347.db2.gz KARAQJGBXHMYHV-JTQLQIEISA-N 1 2 306.297 1.350 20 10 DDCDLO COc1cc(N(C)CC[NH+]2CCOCC2)cc(OC)c1OC ZINC000266021556 522620192 /nfs/dbraw/zinc/62/01/92/522620192.db2.gz WUXZEEOIAOHDCM-UHFFFAOYSA-N 1 2 310.394 1.481 20 10 DDCDLO COCC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000128682146 522747789 /nfs/dbraw/zinc/74/77/89/522747789.db2.gz VQPCUMXTDAJMBN-UHFFFAOYSA-N 1 2 309.385 1.182 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(C)C(=O)C2(C)C)cc1OC ZINC000180420334 522772616 /nfs/dbraw/zinc/77/26/16/522772616.db2.gz WJKVMZNBDOENKR-UHFFFAOYSA-N 1 2 308.378 1.462 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(C)C(=O)C2(C)C)cc1OC ZINC000180420334 522772625 /nfs/dbraw/zinc/77/26/25/522772625.db2.gz WJKVMZNBDOENKR-UHFFFAOYSA-N 1 2 308.378 1.462 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000156411834 524748837 /nfs/dbraw/zinc/74/88/37/524748837.db2.gz ZQFLSQIHTSXEHQ-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715716463 699276084 /nfs/dbraw/zinc/27/60/84/699276084.db2.gz FVCLMWZXKRGZLQ-SSDOTTSWSA-N 1 2 319.174 1.908 20 10 DDCDLO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000794837505 699832540 /nfs/dbraw/zinc/83/25/40/699832540.db2.gz SDHYPAXFVMVOQT-IONNQARKSA-N 1 2 322.174 1.952 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC(F)F)[C@@H](O)CO2 ZINC000795729541 699887009 /nfs/dbraw/zinc/88/70/09/699887009.db2.gz OREIESCTHSZACH-GWCFXTLKSA-N 1 2 315.316 1.674 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1CC(F)F)[C@@H](O)CO2 ZINC000795729541 699887011 /nfs/dbraw/zinc/88/70/11/699887011.db2.gz OREIESCTHSZACH-GWCFXTLKSA-N 1 2 315.316 1.674 20 10 DDCDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768199325 701162961 /nfs/dbraw/zinc/16/29/61/701162961.db2.gz GYWHROPJFTWZBY-UHFFFAOYSA-N 1 2 322.428 1.098 20 10 DDCDLO Oc1cc2c(cc1C[NH2+]Cc1ncn(-c3ccccc3)n1)OCO2 ZINC000815163732 701818829 /nfs/dbraw/zinc/81/88/29/701818829.db2.gz UHLFCCSUEMRORK-UHFFFAOYSA-N 1 2 324.340 1.991 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1O ZINC000868284745 702043025 /nfs/dbraw/zinc/04/30/25/702043025.db2.gz BQTFELFKGZQCQP-BFHYXJOUSA-N 1 2 321.421 1.862 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000868521687 702175711 /nfs/dbraw/zinc/17/57/11/702175711.db2.gz YADVDSZPDWMNJF-VXGBXAGGSA-N 1 2 300.362 1.964 20 10 DDCDLO O=C(Cc1[nH]cc[nH+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816921864 702220508 /nfs/dbraw/zinc/22/05/08/702220508.db2.gz JGBPIEVTTWTQMJ-AWEZNQCLSA-N 1 2 315.373 1.866 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844342294 703018033 /nfs/dbraw/zinc/01/80/33/703018033.db2.gz CBBRDBCWNOTIJC-ZDUSSCGKSA-N 1 2 306.362 1.036 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844342294 703018035 /nfs/dbraw/zinc/01/80/35/703018035.db2.gz CBBRDBCWNOTIJC-ZDUSSCGKSA-N 1 2 306.362 1.036 20 10 DDCDLO Oc1cc(F)c(Cl)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846067747 703233582 /nfs/dbraw/zinc/23/35/82/703233582.db2.gz KGCCVWXZYFOVFP-LLVKDONJSA-N 1 2 300.761 1.436 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846068672 703233958 /nfs/dbraw/zinc/23/39/58/703233958.db2.gz XGPPWCQZLULGIP-GFCCVEGCSA-N 1 2 317.216 1.950 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846068672 703233960 /nfs/dbraw/zinc/23/39/60/703233960.db2.gz XGPPWCQZLULGIP-GFCCVEGCSA-N 1 2 317.216 1.950 20 10 DDCDLO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C2 ZINC000848926189 703604395 /nfs/dbraw/zinc/60/43/95/703604395.db2.gz MSDRIUHQXCQZIE-JTQLQIEISA-N 1 2 310.760 1.960 20 10 DDCDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850361932 703727218 /nfs/dbraw/zinc/72/72/18/703727218.db2.gz XSWQLIHKPACEDR-ONGXEEELSA-N 1 2 323.773 1.086 20 10 DDCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](CO)O1 ZINC000862338079 705698250 /nfs/dbraw/zinc/69/82/50/705698250.db2.gz IUSKXHRPGWZJTG-VHSXEESVSA-N 1 2 316.195 1.736 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](CO)O1 ZINC000862338079 705698255 /nfs/dbraw/zinc/69/82/55/705698255.db2.gz IUSKXHRPGWZJTG-VHSXEESVSA-N 1 2 316.195 1.736 20 10 DDCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826986801 705906802 /nfs/dbraw/zinc/90/68/02/705906802.db2.gz YTKNSLUHDVYXCD-GHMZBOCLSA-N 1 2 323.773 1.086 20 10 DDCDLO O=C1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCCN1 ZINC000877479845 706118507 /nfs/dbraw/zinc/11/85/07/706118507.db2.gz ZTNORJDWXQIBPE-SNVBAGLBSA-N 1 2 313.195 1.913 20 10 DDCDLO CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cccc(Cl)c1O ZINC000927024458 712931978 /nfs/dbraw/zinc/93/19/78/712931978.db2.gz KVYSNVIFZIDJHG-CABZTGNLSA-N 1 2 321.826 1.492 20 10 DDCDLO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)CN1CCOCC1 ZINC000883016351 707899294 /nfs/dbraw/zinc/89/92/94/707899294.db2.gz WZZORVMFOMLGGN-NSHDSACASA-N 1 2 300.349 1.728 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886251335 708726076 /nfs/dbraw/zinc/72/60/76/708726076.db2.gz AGSORHMIMYLUHQ-GUDFOSOFSA-N 1 2 320.158 1.268 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894407749 711107089 /nfs/dbraw/zinc/10/70/89/711107089.db2.gz BOEDYMLCCKOGKC-UONOGXRCSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894407749 711107094 /nfs/dbraw/zinc/10/70/94/711107094.db2.gz BOEDYMLCCKOGKC-UONOGXRCSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c(O)c1 ZINC000907925824 712649539 /nfs/dbraw/zinc/64/95/39/712649539.db2.gz JGFSTBXNRBTRCV-LCYFTJDESA-N 1 2 320.389 1.296 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001269917876 842151374 /nfs/dbraw/zinc/15/13/74/842151374.db2.gz PUKXZXFHSVBHIP-UHFFFAOYSA-N 1 2 317.389 1.583 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001269917876 842151381 /nfs/dbraw/zinc/15/13/81/842151381.db2.gz PUKXZXFHSVBHIP-UHFFFAOYSA-N 1 2 317.389 1.583 20 10 DDCDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276360556 855727936 /nfs/dbraw/zinc/72/79/36/855727936.db2.gz VECDCVKWISQZNF-UHFFFAOYSA-N 1 2 307.369 1.909 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(C)c21 ZINC001140744349 860690461 /nfs/dbraw/zinc/69/04/61/860690461.db2.gz UOPRBJPKUAHJOJ-LBPRGKRZSA-N 1 2 318.377 1.281 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(C)c21 ZINC001140744349 860690462 /nfs/dbraw/zinc/69/04/62/860690462.db2.gz UOPRBJPKUAHJOJ-LBPRGKRZSA-N 1 2 318.377 1.281 20 10 DDCDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204272658 871030600 /nfs/dbraw/zinc/03/06/00/871030600.db2.gz FRIWWQFVEARIFX-LBPRGKRZSA-N 1 2 318.377 1.455 20 10 DDCDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204272658 871030615 /nfs/dbraw/zinc/03/06/15/871030615.db2.gz FRIWWQFVEARIFX-LBPRGKRZSA-N 1 2 318.377 1.455 20 10 DDCDLO COc1cc(C[N@@H+]2CCN(C)c3ncccc3C2)cc(O)c1O ZINC001204344100 871065061 /nfs/dbraw/zinc/06/50/61/871065061.db2.gz YYFMZUNDTHNGSX-UHFFFAOYSA-N 1 2 315.373 1.953 20 10 DDCDLO COc1cc(C[N@H+]2CCN(C)c3ncccc3C2)cc(O)c1O ZINC001204344100 871065079 /nfs/dbraw/zinc/06/50/79/871065079.db2.gz YYFMZUNDTHNGSX-UHFFFAOYSA-N 1 2 315.373 1.953 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(C(N)=O)C2)c(Br)c1 ZINC001237073039 889496022 /nfs/dbraw/zinc/49/60/22/889496022.db2.gz NMFVEUGBBGZURZ-UHFFFAOYSA-N 1 2 315.167 1.080 20 10 DDCDLO COC(=O)/C(C)=C/C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000316708971 879449547 /nfs/dbraw/zinc/44/95/47/879449547.db2.gz GGXCNYQHBUHDOO-RIYZIHGNSA-N 1 2 304.390 1.937 20 10 DDCDLO COc1cc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)cc1O ZINC001231635358 885771603 /nfs/dbraw/zinc/77/16/03/885771603.db2.gz XLDDDROFLIDPTJ-KBPBESRZSA-N 1 2 303.305 1.351 20 10 DDCDLO COc1cc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)cc1O ZINC001231635358 885771619 /nfs/dbraw/zinc/77/16/19/885771619.db2.gz XLDDDROFLIDPTJ-KBPBESRZSA-N 1 2 303.305 1.351 20 10 DDCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231843832 885901866 /nfs/dbraw/zinc/90/18/66/885901866.db2.gz BQDXSVCRICLWLB-CQSZACIVSA-N 1 2 320.389 1.263 20 10 DDCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231843832 885901873 /nfs/dbraw/zinc/90/18/73/885901873.db2.gz BQDXSVCRICLWLB-CQSZACIVSA-N 1 2 320.389 1.263 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1Cl ZINC001236811890 889367588 /nfs/dbraw/zinc/36/75/88/889367588.db2.gz QPYMVAZLLNCWND-ONGXEEELSA-N 1 2 310.781 1.622 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1Cl ZINC001236811890 889367601 /nfs/dbraw/zinc/36/76/01/889367601.db2.gz QPYMVAZLLNCWND-ONGXEEELSA-N 1 2 310.781 1.622 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(OC)cc(OC)c1O ZINC001237670652 889794151 /nfs/dbraw/zinc/79/41/51/889794151.db2.gz VEKUKFZCAZPITP-YVEFUNNKSA-N 1 2 321.373 1.937 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(OC)cc(OC)c1O ZINC001237670652 889794161 /nfs/dbraw/zinc/79/41/61/889794161.db2.gz VEKUKFZCAZPITP-YVEFUNNKSA-N 1 2 321.373 1.937 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237807442 889861363 /nfs/dbraw/zinc/86/13/63/889861363.db2.gz IVWWHEARELHZOQ-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237807442 889861376 /nfs/dbraw/zinc/86/13/76/889861376.db2.gz IVWWHEARELHZOQ-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257070599 897711771 /nfs/dbraw/zinc/71/17/71/897711771.db2.gz OBQLEWOSNVLVHP-GYSYKLTISA-N 1 2 323.389 1.728 20 10 DDCDLO CCS(=O)(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000066103648 352978467 /nfs/dbraw/zinc/97/84/67/352978467.db2.gz OHUBYEVEVMYTJR-UHFFFAOYSA-N 1 2 312.435 1.946 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079474051 353563547 /nfs/dbraw/zinc/56/35/47/353563547.db2.gz IPNVGKCASYELCG-OAHLLOKOSA-N 1 2 313.300 1.821 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079474051 353563548 /nfs/dbraw/zinc/56/35/48/353563548.db2.gz IPNVGKCASYELCG-OAHLLOKOSA-N 1 2 313.300 1.821 20 10 DDCDLO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(O)c1O ZINC000376172440 292067397 /nfs/dbraw/zinc/06/73/97/292067397.db2.gz MTOMZSRSCQSZQH-OLZOCXBDSA-N 1 2 320.389 1.341 20 10 DDCDLO COc1cc(O)c(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000270846172 408707216 /nfs/dbraw/zinc/70/72/16/408707216.db2.gz LFTBQIJTBWUPQA-LLVKDONJSA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000270846172 408707220 /nfs/dbraw/zinc/70/72/20/408707220.db2.gz LFTBQIJTBWUPQA-LLVKDONJSA-N 1 2 315.391 1.028 20 10 DDCDLO COC1CCN(c2ccc(C[N@@H+]3CCNC(=O)[C@H]3C)cc2)CC1 ZINC000297051549 409777046 /nfs/dbraw/zinc/77/70/46/409777046.db2.gz IKMWTEZPZORJLJ-CQSZACIVSA-N 1 2 317.433 1.622 20 10 DDCDLO COC1CCN(c2ccc(C[N@H+]3CCNC(=O)[C@H]3C)cc2)CC1 ZINC000297051549 409777053 /nfs/dbraw/zinc/77/70/53/409777053.db2.gz IKMWTEZPZORJLJ-CQSZACIVSA-N 1 2 317.433 1.622 20 10 DDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000367271717 418578573 /nfs/dbraw/zinc/57/85/73/418578573.db2.gz UNYJKQMMASUGOD-HNNXBMFYSA-N 1 2 309.385 1.229 20 10 DDCDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000367271717 418578575 /nfs/dbraw/zinc/57/85/75/418578575.db2.gz UNYJKQMMASUGOD-HNNXBMFYSA-N 1 2 309.385 1.229 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000368375406 418720083 /nfs/dbraw/zinc/72/00/83/418720083.db2.gz UTTPBNABRFUHJN-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(Cl)c1O ZINC000290193530 288042110 /nfs/dbraw/zinc/04/21/10/288042110.db2.gz ONLSWAHBOZTGCC-LBPRGKRZSA-N 1 2 320.842 1.978 20 10 DDCDLO COC(=O)CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000267449646 523064096 /nfs/dbraw/zinc/06/40/96/523064096.db2.gz QZHRRTYZAAJEOZ-UHFFFAOYSA-N 1 2 315.753 1.584 20 10 DDCDLO COC(=O)CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000267449646 523064104 /nfs/dbraw/zinc/06/41/04/523064104.db2.gz QZHRRTYZAAJEOZ-UHFFFAOYSA-N 1 2 315.753 1.584 20 10 DDCDLO COC(=O)c1cn(C2C[NH+](Cc3ccc(N(C)C)cc3)C2)nn1 ZINC000779613567 698442491 /nfs/dbraw/zinc/44/24/91/698442491.db2.gz MUOVQWYIESGURH-UHFFFAOYSA-N 1 2 315.377 1.188 20 10 DDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769480216 701246575 /nfs/dbraw/zinc/24/65/75/701246575.db2.gz LXSUPUQBCCWOLQ-HXUWFJFHSA-N 1 2 316.854 1.542 20 10 DDCDLO COCC[N@H+](Cc1c(O)cc(C)cc1Cl)[C@@H](C)C(N)=O ZINC000840914372 702277455 /nfs/dbraw/zinc/27/74/55/702277455.db2.gz UCPHPDKKLFFXFS-JTQLQIEISA-N 1 2 300.786 1.676 20 10 DDCDLO COCC[N@@H+](Cc1c(O)cc(C)cc1Cl)[C@@H](C)C(N)=O ZINC000840914372 702277459 /nfs/dbraw/zinc/27/74/59/702277459.db2.gz UCPHPDKKLFFXFS-JTQLQIEISA-N 1 2 300.786 1.676 20 10 DDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418684 702376398 /nfs/dbraw/zinc/37/63/98/702376398.db2.gz BQQAAUUSYBSSDV-JTQLQIEISA-N 1 2 311.748 1.666 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841960082 702636156 /nfs/dbraw/zinc/63/61/56/702636156.db2.gz UOXILDPJWAYVPV-CQSZACIVSA-N 1 2 320.437 1.173 20 10 DDCDLO CCN(C)C(=O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463875 706686997 /nfs/dbraw/zinc/68/69/97/706686997.db2.gz UAXURMXUHKGOLX-UHFFFAOYSA-N 1 2 321.421 1.304 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000846442769 703277140 /nfs/dbraw/zinc/27/71/40/703277140.db2.gz WVKVEDYNUHPTMR-UHFFFAOYSA-N 1 2 316.405 1.946 20 10 DDCDLO CCOC(=O)CN(Cc1c[nH+]cn1C)Cc1ccccc1O ZINC000822511440 704964370 /nfs/dbraw/zinc/96/43/70/704964370.db2.gz FZKCXFRTOVUNCW-UHFFFAOYSA-N 1 2 303.362 1.691 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875301245 705344841 /nfs/dbraw/zinc/34/48/41/705344841.db2.gz PNYQSDKXHJYJOF-AWEZNQCLSA-N 1 2 313.405 1.682 20 10 DDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876685379 705819335 /nfs/dbraw/zinc/81/93/35/705819335.db2.gz DBUGDLBFNMZHRU-UHFFFAOYSA-N 1 2 306.406 1.643 20 10 DDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876685379 705819339 /nfs/dbraw/zinc/81/93/39/705819339.db2.gz DBUGDLBFNMZHRU-UHFFFAOYSA-N 1 2 306.406 1.643 20 10 DDCDLO C[C@@]12C[NH+](Cc3cccc(Cl)c3O)C[C@@]1(C)C(=O)NC2=O ZINC000877669000 706175506 /nfs/dbraw/zinc/17/55/06/706175506.db2.gz XKSCTBKHEJEPBD-GJZGRUSLSA-N 1 2 308.765 1.530 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cncn3C)CC2)c(OC)c1 ZINC000877708396 706183934 /nfs/dbraw/zinc/18/39/34/706183934.db2.gz KYDJLLCPFXKDPY-UHFFFAOYSA-N 1 2 316.405 1.760 20 10 DDCDLO COc1ccc(N2CCN(Cc3c[nH+]cn3C)CC2)c(OC)c1 ZINC000877708396 706183936 /nfs/dbraw/zinc/18/39/36/706183936.db2.gz KYDJLLCPFXKDPY-UHFFFAOYSA-N 1 2 316.405 1.760 20 10 DDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864949699 706309219 /nfs/dbraw/zinc/30/92/19/706309219.db2.gz MRDXNRGSRSNXSW-INIZCTEOSA-N 1 2 316.405 1.946 20 10 DDCDLO COCC[N@H+](C)Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272279 707176044 /nfs/dbraw/zinc/17/60/44/707176044.db2.gz QXTUMPZSNZJJMF-UHFFFAOYSA-N 1 2 303.410 1.471 20 10 DDCDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272279 707176048 /nfs/dbraw/zinc/17/60/48/707176048.db2.gz QXTUMPZSNZJJMF-UHFFFAOYSA-N 1 2 303.410 1.471 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnccn3)CC2)cc1F ZINC000838861110 707991255 /nfs/dbraw/zinc/99/12/55/707991255.db2.gz ZSXRXRKCKFSJJY-UHFFFAOYSA-N 1 2 302.353 1.947 20 10 DDCDLO COCCNC(=O)C1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000839192531 708034608 /nfs/dbraw/zinc/03/46/08/708034608.db2.gz JUKYGOZDHOUTSE-UHFFFAOYSA-N 1 2 316.760 1.570 20 10 DDCDLO CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000912615714 713052077 /nfs/dbraw/zinc/05/20/77/713052077.db2.gz PHEFKUSHNDOPMW-XQRVVYSFSA-N 1 2 301.346 1.859 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1c(O)cccc1F ZINC000914083037 713340679 /nfs/dbraw/zinc/34/06/79/713340679.db2.gz NORMICBNURTHTJ-NSHDSACASA-N 1 2 311.357 1.051 20 10 DDCDLO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001200449341 748240583 /nfs/dbraw/zinc/24/05/83/748240583.db2.gz AWYKUCFVYVKTEN-GFCCVEGCSA-N 1 2 301.793 1.520 20 10 DDCDLO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001275775158 853726099 /nfs/dbraw/zinc/72/60/99/853726099.db2.gz WVVBUTWSUILDDL-INIZCTEOSA-N 1 2 312.360 1.967 20 10 DDCDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001275775158 853726102 /nfs/dbraw/zinc/72/61/02/853726102.db2.gz WVVBUTWSUILDDL-INIZCTEOSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1O ZINC001275821803 853818430 /nfs/dbraw/zinc/81/84/30/853818430.db2.gz ZZNMRGMZLLNNPX-GASCZTMLSA-N 1 2 314.389 1.670 20 10 DDCDLO Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1O ZINC001275821803 853818436 /nfs/dbraw/zinc/81/84/36/853818436.db2.gz ZZNMRGMZLLNNPX-GASCZTMLSA-N 1 2 314.389 1.670 20 10 DDCDLO CN(C)C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466475 860638069 /nfs/dbraw/zinc/63/80/69/860638069.db2.gz GZRKFKAMRIWFKI-UHFFFAOYSA-N 1 2 311.813 1.251 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CC[C@](O)(CF)[C@@H](F)C3)ccc21 ZINC001141140082 860793422 /nfs/dbraw/zinc/79/34/22/860793422.db2.gz ICBKLLMOBNKTRW-HOTGVXAUSA-N 1 2 312.360 1.760 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CC[C@](O)(CF)[C@@H](F)C3)ccc21 ZINC001141140082 860793427 /nfs/dbraw/zinc/79/34/27/860793427.db2.gz ICBKLLMOBNKTRW-HOTGVXAUSA-N 1 2 312.360 1.760 20 10 DDCDLO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCN(C)CC1 ZINC001346995904 873966279 /nfs/dbraw/zinc/96/62/79/873966279.db2.gz DHHPKKFYWACAHD-KGLIPLIRSA-N 1 2 320.437 1.388 20 10 DDCDLO O=C(N1CCCCO1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276914968 881079371 /nfs/dbraw/zinc/07/93/71/881079371.db2.gz XHODQULLVIXVJB-SUMWQHHRSA-N 1 2 318.373 1.616 20 10 DDCDLO O=C(N1CCCCO1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276914968 881079381 /nfs/dbraw/zinc/07/93/81/881079381.db2.gz XHODQULLVIXVJB-SUMWQHHRSA-N 1 2 318.373 1.616 20 10 DDCDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)O1 ZINC001231910429 885941860 /nfs/dbraw/zinc/94/18/60/885941860.db2.gz PJEWOTPZBDCPOQ-MGPQQGTHSA-N 1 2 324.808 1.866 20 10 DDCDLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001277660283 886333625 /nfs/dbraw/zinc/33/36/25/886333625.db2.gz SXJOEWNPSYRXJP-UHFFFAOYSA-N 1 2 316.361 1.081 20 10 DDCDLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001277660283 886333640 /nfs/dbraw/zinc/33/36/40/886333640.db2.gz SXJOEWNPSYRXJP-UHFFFAOYSA-N 1 2 316.361 1.081 20 10 DDCDLO NC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418600 886983423 /nfs/dbraw/zinc/98/34/23/886983423.db2.gz NWLLPARKZRNRKE-UHFFFAOYSA-N 1 2 317.311 1.014 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236782797 889352214 /nfs/dbraw/zinc/35/22/14/889352214.db2.gz FHLOBUQJHGQXNA-CQSZACIVSA-N 1 2 305.374 1.909 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(CC)cc2O)C1 ZINC001236782797 889352223 /nfs/dbraw/zinc/35/22/23/889352223.db2.gz FHLOBUQJHGQXNA-CQSZACIVSA-N 1 2 305.374 1.909 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(CC)cc2O)CCC1=O ZINC001236782797 889352236 /nfs/dbraw/zinc/35/22/36/889352236.db2.gz FHLOBUQJHGQXNA-CQSZACIVSA-N 1 2 305.374 1.909 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(CC)cc2O)CCC1=O ZINC001236782797 889352247 /nfs/dbraw/zinc/35/22/47/889352247.db2.gz FHLOBUQJHGQXNA-CQSZACIVSA-N 1 2 305.374 1.909 20 10 DDCDLO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(Cl)c1O ZINC000287610294 131290067 /nfs/dbraw/zinc/29/00/67/131290067.db2.gz JBXDYZUXJWQKOK-NSHDSACASA-N 1 2 311.769 1.638 20 10 DDCDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271198081 407570644 /nfs/dbraw/zinc/57/06/44/407570644.db2.gz OPXKHLXUZXEUBU-UHFFFAOYSA-N 1 2 301.394 1.582 20 10 DDCDLO Cc1nnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271198081 407570646 /nfs/dbraw/zinc/57/06/46/407570646.db2.gz OPXKHLXUZXEUBU-UHFFFAOYSA-N 1 2 301.394 1.582 20 10 DDCDLO C[C@H]1OCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000178591410 407502450 /nfs/dbraw/zinc/50/24/50/407502450.db2.gz SBKITRQVGAQIAC-HUUCEWRRSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@H]1OCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000178591410 407502454 /nfs/dbraw/zinc/50/24/54/407502454.db2.gz SBKITRQVGAQIAC-HUUCEWRRSA-N 1 2 319.449 1.820 20 10 DDCDLO O=C1CO[C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2N1 ZINC000366775158 418516752 /nfs/dbraw/zinc/51/67/52/418516752.db2.gz MGPKCDHGXNIPOK-CMPLNLGQSA-N 1 2 314.744 1.274 20 10 DDCDLO O=C1CO[C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2N1 ZINC000366775158 418516754 /nfs/dbraw/zinc/51/67/54/418516754.db2.gz MGPKCDHGXNIPOK-CMPLNLGQSA-N 1 2 314.744 1.274 20 10 DDCDLO C[N@@H+]1CCN(C(=O)c2ccoc2CC(N)=O)c2ccccc2C1 ZINC000367211769 418571714 /nfs/dbraw/zinc/57/17/14/418571714.db2.gz NDDRUSUCPXQVSN-UHFFFAOYSA-N 1 2 313.357 1.400 20 10 DDCDLO C[N@H+]1CCN(C(=O)c2ccoc2CC(N)=O)c2ccccc2C1 ZINC000367211769 418571716 /nfs/dbraw/zinc/57/17/16/418571716.db2.gz NDDRUSUCPXQVSN-UHFFFAOYSA-N 1 2 313.357 1.400 20 10 DDCDLO Nc1ccc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000378180773 418719882 /nfs/dbraw/zinc/71/98/82/418719882.db2.gz ATLWWEZLJCTSEG-UHFFFAOYSA-N 1 2 315.377 1.050 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180284023 519671873 /nfs/dbraw/zinc/67/18/73/519671873.db2.gz RFCGNGGFXHUGJL-CQSZACIVSA-N 1 2 312.797 1.691 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180284023 519671875 /nfs/dbraw/zinc/67/18/75/519671875.db2.gz RFCGNGGFXHUGJL-CQSZACIVSA-N 1 2 312.797 1.691 20 10 DDCDLO Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(O)c1O ZINC000182896319 526202323 /nfs/dbraw/zinc/20/23/23/526202323.db2.gz JBBLYBZZQJDWBR-GFCCVEGCSA-N 1 2 313.357 1.810 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909685 536505376 /nfs/dbraw/zinc/50/53/76/536505376.db2.gz JRSXVUOVYYBZJS-JQWIXIFHSA-N 1 2 307.346 1.894 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909685 536505386 /nfs/dbraw/zinc/50/53/86/536505386.db2.gz JRSXVUOVYYBZJS-JQWIXIFHSA-N 1 2 307.346 1.894 20 10 DDCDLO CS(=O)(=O)NCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761169 696638350 /nfs/dbraw/zinc/63/83/50/696638350.db2.gz WCWUUHFOSQWLKB-UHFFFAOYSA-N 1 2 324.402 1.537 20 10 DDCDLO CS(=O)(=O)NCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761169 696638352 /nfs/dbraw/zinc/63/83/52/696638352.db2.gz WCWUUHFOSQWLKB-UHFFFAOYSA-N 1 2 324.402 1.537 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1O ZINC000184693537 697506840 /nfs/dbraw/zinc/50/68/40/697506840.db2.gz FYCMMYYPGPKXOK-SECBINFHSA-N 1 2 321.826 1.919 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1O ZINC000184693537 697506843 /nfs/dbraw/zinc/50/68/43/697506843.db2.gz FYCMMYYPGPKXOK-SECBINFHSA-N 1 2 321.826 1.919 20 10 DDCDLO COc1cc(O)c(C[NH2+]Cc2nc(N(C)C)no2)cc1OC ZINC000191897371 697616262 /nfs/dbraw/zinc/61/62/62/697616262.db2.gz OFOTYSCONMUATD-UHFFFAOYSA-N 1 2 308.338 1.148 20 10 DDCDLO Cn1ncc(C[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000715711000 699276076 /nfs/dbraw/zinc/27/60/76/699276076.db2.gz BCGOGDGUDVXOIR-UHFFFAOYSA-N 1 2 315.146 1.712 20 10 DDCDLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743433 699276878 /nfs/dbraw/zinc/27/68/78/699276878.db2.gz BERNNXYEEATPDA-SSDOTTSWSA-N 1 2 319.174 1.908 20 10 DDCDLO Cc1nonc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809745300 701685089 /nfs/dbraw/zinc/68/50/89/701685089.db2.gz QYLCMNGGMWYNNT-UHFFFAOYSA-N 1 2 306.341 1.644 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000868055400 701916329 /nfs/dbraw/zinc/91/63/29/701916329.db2.gz JCUUITIYIBFCDT-QWHCGFSZSA-N 1 2 307.394 1.473 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816511961 702102032 /nfs/dbraw/zinc/10/20/32/702102032.db2.gz RCSQLTQLWSJLBS-VIFPVBQESA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816511961 702102035 /nfs/dbraw/zinc/10/20/35/702102035.db2.gz RCSQLTQLWSJLBS-VIFPVBQESA-N 1 2 322.789 1.438 20 10 DDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840917187 702278794 /nfs/dbraw/zinc/27/87/94/702278794.db2.gz HSXDVFDXUZDLII-MRXNPFEDSA-N 1 2 306.406 1.825 20 10 DDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840917187 702278796 /nfs/dbraw/zinc/27/87/96/702278796.db2.gz HSXDVFDXUZDLII-MRXNPFEDSA-N 1 2 306.406 1.825 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC000844132396 702975744 /nfs/dbraw/zinc/97/57/44/702975744.db2.gz FXWKZVDKRFOMLA-ZDUSSCGKSA-N 1 2 316.380 1.967 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000844133864 702976068 /nfs/dbraw/zinc/97/60/68/702976068.db2.gz BTGNKEDXKHPWEE-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000844726875 703064023 /nfs/dbraw/zinc/06/40/23/703064023.db2.gz ZEIUAFIYJPVBJC-UHFFFAOYSA-N 1 2 319.365 1.826 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000844726875 703064026 /nfs/dbraw/zinc/06/40/26/703064026.db2.gz ZEIUAFIYJPVBJC-UHFFFAOYSA-N 1 2 319.365 1.826 20 10 DDCDLO COc1ccc(N(C[C@@H](O)C[NH+]2CCOCC2)CC2CC2)cc1 ZINC000831583227 706734237 /nfs/dbraw/zinc/73/42/37/706734237.db2.gz RKIJMIIDSLBZPY-KRWDZBQOSA-N 1 2 320.433 1.605 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000855225484 704474076 /nfs/dbraw/zinc/47/40/76/704474076.db2.gz NRZQODVRLMESGL-CYBMUJFWSA-N 1 2 314.389 1.746 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824819804 705535809 /nfs/dbraw/zinc/53/58/09/705535809.db2.gz SZBCYMHISFLFKL-ZDUSSCGKSA-N 1 2 312.797 1.691 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824819804 705535811 /nfs/dbraw/zinc/53/58/11/705535811.db2.gz SZBCYMHISFLFKL-ZDUSSCGKSA-N 1 2 312.797 1.691 20 10 DDCDLO Oc1cc(Br)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000826043160 705762815 /nfs/dbraw/zinc/76/28/15/705762815.db2.gz DJYWMANQXAWUEV-NSHDSACASA-N 1 2 302.168 1.348 20 10 DDCDLO Oc1cc(Br)ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000826043160 705762816 /nfs/dbraw/zinc/76/28/16/705762816.db2.gz DJYWMANQXAWUEV-NSHDSACASA-N 1 2 302.168 1.348 20 10 DDCDLO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)cc(F)c1O ZINC000834902304 707147283 /nfs/dbraw/zinc/14/72/83/707147283.db2.gz DGJXVDMLLMYEJZ-SNVBAGLBSA-N 1 2 300.349 1.778 20 10 DDCDLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000882084720 707491252 /nfs/dbraw/zinc/49/12/52/707491252.db2.gz PVHYGPXTEJRSST-CYBMUJFWSA-N 1 2 322.434 1.630 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(F)cc1O ZINC000883335590 707978884 /nfs/dbraw/zinc/97/88/84/707978884.db2.gz WQTXCEXTSOLLIH-SECBINFHSA-N 1 2 317.324 1.124 20 10 DDCDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894085283 710958271 /nfs/dbraw/zinc/95/82/71/710958271.db2.gz SLPLTANJRNPPOH-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894085283 710958274 /nfs/dbraw/zinc/95/82/74/710958274.db2.gz SLPLTANJRNPPOH-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530507 711166270 /nfs/dbraw/zinc/16/62/70/711166270.db2.gz JBBVNJNCHQVRNC-OCCSQVGLSA-N 1 2 309.362 1.208 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530507 711166272 /nfs/dbraw/zinc/16/62/72/711166272.db2.gz JBBVNJNCHQVRNC-OCCSQVGLSA-N 1 2 309.362 1.208 20 10 DDCDLO CC[C@H](CO)Nc1cc(N2Cc3cccc(O)c3C2)nc[nH+]1 ZINC000894992354 711353977 /nfs/dbraw/zinc/35/39/77/711353977.db2.gz WLYTTYIXXPPNKX-GFCCVEGCSA-N 1 2 300.362 1.885 20 10 DDCDLO CC[C@H](CO)Nc1cc(N2Cc3cccc(O)c3C2)[nH+]cn1 ZINC000894992354 711353983 /nfs/dbraw/zinc/35/39/83/711353983.db2.gz WLYTTYIXXPPNKX-GFCCVEGCSA-N 1 2 300.362 1.885 20 10 DDCDLO COc1cc(C)c(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c(O)c1 ZINC001183597120 743867293 /nfs/dbraw/zinc/86/72/93/743867293.db2.gz IRJOUTFTKVLTHF-UHFFFAOYSA-N 1 2 317.393 1.145 20 10 DDCDLO CCOC(=O)c1c(C[N@@H+]2CCc3cccc(O)c3C2)cnn1C ZINC001136910242 772203767 /nfs/dbraw/zinc/20/37/67/772203767.db2.gz VEPRMNAZSYWJLD-UHFFFAOYSA-N 1 2 315.373 1.861 20 10 DDCDLO CCOC(=O)c1c(C[N@H+]2CCc3cccc(O)c3C2)cnn1C ZINC001136910242 772203770 /nfs/dbraw/zinc/20/37/70/772203770.db2.gz VEPRMNAZSYWJLD-UHFFFAOYSA-N 1 2 315.373 1.861 20 10 DDCDLO Oc1cccc(F)c1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001137832877 859982361 /nfs/dbraw/zinc/98/23/61/859982361.db2.gz KVNJVXSXSSHUPE-LBPRGKRZSA-N 1 2 309.259 1.657 20 10 DDCDLO Oc1cccc(F)c1C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001137832877 859982365 /nfs/dbraw/zinc/98/23/65/859982365.db2.gz KVNJVXSXSSHUPE-LBPRGKRZSA-N 1 2 309.259 1.657 20 10 DDCDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC001138499514 860119808 /nfs/dbraw/zinc/11/98/08/860119808.db2.gz NUKUSMUYIMCWNT-OAHLLOKOSA-N 1 2 317.433 1.576 20 10 DDCDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC001138499514 860119815 /nfs/dbraw/zinc/11/98/15/860119815.db2.gz NUKUSMUYIMCWNT-OAHLLOKOSA-N 1 2 317.433 1.576 20 10 DDCDLO COC(=O)CC1C[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129414 860299386 /nfs/dbraw/zinc/29/93/86/860299386.db2.gz YVCDYURLIGIAKG-UHFFFAOYSA-N 1 2 317.341 1.802 20 10 DDCDLO Oc1ccc(O)c(CN2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001141159019 860797934 /nfs/dbraw/zinc/79/79/34/860797934.db2.gz WADXKDYXUVGGQK-UHFFFAOYSA-N 1 2 313.401 1.853 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC001331230855 864955835 /nfs/dbraw/zinc/95/58/35/864955835.db2.gz YAENJTRSEQYXAG-UONOGXRCSA-N 1 2 314.389 1.848 20 10 DDCDLO COc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)cc(O)c1O ZINC001204344761 871066302 /nfs/dbraw/zinc/06/63/02/871066302.db2.gz CNBZNSXPCWHXBX-UHFFFAOYSA-N 1 2 309.362 1.488 20 10 DDCDLO COc1cc(C[N@H+]2CCOC3(CCOCC3)C2)cc(O)c1O ZINC001204344761 871066317 /nfs/dbraw/zinc/06/63/17/871066317.db2.gz CNBZNSXPCWHXBX-UHFFFAOYSA-N 1 2 309.362 1.488 20 10 DDCDLO Oc1c(F)cccc1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001276538584 873346807 /nfs/dbraw/zinc/34/68/07/873346807.db2.gz WNWFKSGJUIEKAT-UHFFFAOYSA-N 1 2 316.380 1.962 20 10 DDCDLO Oc1c(F)cccc1CN1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001276538584 873346815 /nfs/dbraw/zinc/34/68/15/873346815.db2.gz WNWFKSGJUIEKAT-UHFFFAOYSA-N 1 2 316.380 1.962 20 10 DDCDLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236794645 889358831 /nfs/dbraw/zinc/35/88/31/889358831.db2.gz TZLBZZIZRWGUGF-AMIZOPFISA-N 1 2 306.189 1.874 20 10 DDCDLO COc1cc(C[NH+]2CCC(S(C)(=O)=O)CC2)c(O)cc1O ZINC001231636031 885771093 /nfs/dbraw/zinc/77/10/93/885771093.db2.gz OVUJDDFLGUAEHJ-UHFFFAOYSA-N 1 2 315.391 1.115 20 10 DDCDLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2C(N)=O)c(O)c1 ZINC001277567755 885878207 /nfs/dbraw/zinc/87/82/07/885878207.db2.gz HUVSKYNHGXNJAR-AWEZNQCLSA-N 1 2 300.362 1.157 20 10 DDCDLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2C(N)=O)c(O)c1 ZINC001277567755 885878224 /nfs/dbraw/zinc/87/82/24/885878224.db2.gz HUVSKYNHGXNJAR-AWEZNQCLSA-N 1 2 300.362 1.157 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC001231848450 885904523 /nfs/dbraw/zinc/90/45/23/885904523.db2.gz HEWHSLOZXVAWST-UHFFFAOYSA-N 1 2 320.437 1.560 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCN1C ZINC001231870064 885917831 /nfs/dbraw/zinc/91/78/31/885917831.db2.gz HTDHVNXYLJZKNO-ZDUSSCGKSA-N 1 2 312.797 1.643 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCN1C ZINC001231870064 885917837 /nfs/dbraw/zinc/91/78/37/885917837.db2.gz HTDHVNXYLJZKNO-ZDUSSCGKSA-N 1 2 312.797 1.643 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCN1C ZINC001232262607 886195745 /nfs/dbraw/zinc/19/57/45/886195745.db2.gz LGASZPPIWPCWQH-LLVKDONJSA-N 1 2 314.769 1.040 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC001232269478 886199641 /nfs/dbraw/zinc/19/96/41/886199641.db2.gz BNRHEXQPLBHHLX-JTQLQIEISA-N 1 2 319.810 1.673 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC001232269478 886199653 /nfs/dbraw/zinc/19/96/53/886199653.db2.gz BNRHEXQPLBHHLX-JTQLQIEISA-N 1 2 319.810 1.673 20 10 DDCDLO Oc1cc(C[NH+]2CCC(Oc3ccncn3)CC2)cc(O)c1O ZINC001233016498 886730713 /nfs/dbraw/zinc/73/07/13/886730713.db2.gz ZSIMQYFCXBNXPL-UHFFFAOYSA-N 1 2 317.345 1.637 20 10 DDCDLO COc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1Cl ZINC001234993848 888320547 /nfs/dbraw/zinc/32/05/47/888320547.db2.gz WHJILAKXXQOVBX-HNNXBMFYSA-N 1 2 311.813 1.192 20 10 DDCDLO Oc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)cc1Br ZINC001236769223 889343356 /nfs/dbraw/zinc/34/33/56/889343356.db2.gz VIVGFVAIMPACKR-CABZTGNLSA-N 1 2 320.158 1.765 20 10 DDCDLO Oc1cc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c(O)cc1Br ZINC001236769223 889343368 /nfs/dbraw/zinc/34/33/68/889343368.db2.gz VIVGFVAIMPACKR-CABZTGNLSA-N 1 2 320.158 1.765 20 10 DDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237055614 889484580 /nfs/dbraw/zinc/48/45/80/889484580.db2.gz HHAKUHQOZWEBEA-SECBINFHSA-N 1 2 318.295 1.654 20 10 DDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237055614 889484596 /nfs/dbraw/zinc/48/45/96/889484596.db2.gz HHAKUHQOZWEBEA-SECBINFHSA-N 1 2 318.295 1.654 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237807446 889863399 /nfs/dbraw/zinc/86/33/99/889863399.db2.gz IVWWHEARELHZOQ-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237807446 889863411 /nfs/dbraw/zinc/86/34/11/889863411.db2.gz IVWWHEARELHZOQ-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC(=O)NCC2(C)C)ccc1[N+](=O)[O-] ZINC000282874689 409069370 /nfs/dbraw/zinc/06/93/70/409069370.db2.gz YDKOHQQSSFTAPU-UHFFFAOYSA-N 1 2 309.322 1.019 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC(=O)NCC2(C)C)ccc1[N+](=O)[O-] ZINC000282874689 409069372 /nfs/dbraw/zinc/06/93/72/409069372.db2.gz YDKOHQQSSFTAPU-UHFFFAOYSA-N 1 2 309.322 1.019 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1F ZINC000282866162 409069561 /nfs/dbraw/zinc/06/95/61/409069561.db2.gz XRPDIFNJQYPTQM-LBPRGKRZSA-N 1 2 300.399 1.511 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1F ZINC000282866162 409069565 /nfs/dbraw/zinc/06/95/65/409069565.db2.gz XRPDIFNJQYPTQM-LBPRGKRZSA-N 1 2 300.399 1.511 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511600 409293023 /nfs/dbraw/zinc/29/30/23/409293023.db2.gz ISUYJFODNUAEEL-CVEARBPZSA-N 1 2 306.406 1.559 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511600 409293027 /nfs/dbraw/zinc/29/30/27/409293027.db2.gz ISUYJFODNUAEEL-CVEARBPZSA-N 1 2 306.406 1.559 20 10 DDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294795416 409303116 /nfs/dbraw/zinc/30/31/16/409303116.db2.gz VMGFQHXPPNPYHJ-SECBINFHSA-N 1 2 307.774 1.804 20 10 DDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294795416 409303119 /nfs/dbraw/zinc/30/31/19/409303119.db2.gz VMGFQHXPPNPYHJ-SECBINFHSA-N 1 2 307.774 1.804 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000295228782 409384668 /nfs/dbraw/zinc/38/46/68/409384668.db2.gz ZABUBXCLFJWIBP-NSHDSACASA-N 1 2 324.352 1.031 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000377483974 418710767 /nfs/dbraw/zinc/71/07/67/418710767.db2.gz GNWCSBSLOQTGLG-ZDUSSCGKSA-N 1 2 301.394 1.956 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000377483974 418710768 /nfs/dbraw/zinc/71/07/68/418710768.db2.gz GNWCSBSLOQTGLG-ZDUSSCGKSA-N 1 2 301.394 1.956 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529644080 421547850 /nfs/dbraw/zinc/54/78/50/421547850.db2.gz RGBIALKKPXPDGZ-NSHDSACASA-N 1 2 313.785 1.175 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529644080 421547852 /nfs/dbraw/zinc/54/78/52/421547852.db2.gz RGBIALKKPXPDGZ-NSHDSACASA-N 1 2 313.785 1.175 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1COCCN1 ZINC000530180641 421584557 /nfs/dbraw/zinc/58/45/57/421584557.db2.gz DRMAPLAQNNUXJO-JTQLQIEISA-N 1 2 301.184 1.233 20 10 DDCDLO COc1ccc(N2CC[NH+](CCNC(=O)CSC)CC2)cc1 ZINC000299521667 536698970 /nfs/dbraw/zinc/69/89/70/536698970.db2.gz YVVXUDCWLMWONJ-UHFFFAOYSA-N 1 2 323.462 1.296 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CCN(CC(C)(C)O)CC2)c1 ZINC000130006006 696793632 /nfs/dbraw/zinc/79/36/32/696793632.db2.gz VWFXNGKPYMRNSA-UHFFFAOYSA-N 1 2 308.422 1.679 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000775112030 697963714 /nfs/dbraw/zinc/96/37/14/697963714.db2.gz RPWMYDAGFRGDTA-ZETCQYMHSA-N 1 2 308.294 1.851 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000779577138 698438340 /nfs/dbraw/zinc/43/83/40/698438340.db2.gz WVCJUCMMXCIAOG-LBPRGKRZSA-N 1 2 316.361 1.412 20 10 DDCDLO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000795826969 699894648 /nfs/dbraw/zinc/89/46/48/699894648.db2.gz DFGQSHGZTYMXIX-GARJFASQSA-N 1 2 301.333 1.966 20 10 DDCDLO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(F)cc(F)c1O ZINC000757639713 700667304 /nfs/dbraw/zinc/66/73/04/700667304.db2.gz SCDUDNWYJDUGME-QMMMGPOBSA-N 1 2 310.304 1.474 20 10 DDCDLO Oc1cc2c(cc1C[NH+]1CCN(C[C@H]3CCCO3)CC1)OCO2 ZINC000768190924 701162529 /nfs/dbraw/zinc/16/25/29/701162529.db2.gz FESXLSIGQWTNHT-CQSZACIVSA-N 1 2 320.389 1.418 20 10 DDCDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463143 706686332 /nfs/dbraw/zinc/68/63/32/706686332.db2.gz AHEONKZLRMJGCN-CYBMUJFWSA-N 1 2 307.394 1.090 20 10 DDCDLO Oc1ccc(Cl)c(F)c1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843424612 702878851 /nfs/dbraw/zinc/87/88/51/702878851.db2.gz WZDFQBNBSMOTEV-SNVBAGLBSA-N 1 2 300.761 1.436 20 10 DDCDLO COCCOCC[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000846117410 703239653 /nfs/dbraw/zinc/23/96/53/703239653.db2.gz PSWQMZJUJIOOCO-UHFFFAOYSA-N 1 2 324.421 1.181 20 10 DDCDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876723311 705839551 /nfs/dbraw/zinc/83/95/51/705839551.db2.gz SQEZACCODOXMDV-UHFFFAOYSA-N 1 2 320.361 1.184 20 10 DDCDLO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876777603 705872557 /nfs/dbraw/zinc/87/25/57/705872557.db2.gz SCNJIVWVAYVROF-LBPRGKRZSA-N 1 2 300.349 1.559 20 10 DDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877491770 706122157 /nfs/dbraw/zinc/12/21/57/706122157.db2.gz WZOXNPOQFTWGEF-CYBMUJFWSA-N 1 2 306.406 1.641 20 10 DDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877491770 706122160 /nfs/dbraw/zinc/12/21/60/706122160.db2.gz WZOXNPOQFTWGEF-CYBMUJFWSA-N 1 2 306.406 1.641 20 10 DDCDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891534526 710229456 /nfs/dbraw/zinc/22/94/56/710229456.db2.gz GOQCUMKTVHQJRK-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891534526 710229458 /nfs/dbraw/zinc/22/94/58/710229458.db2.gz GOQCUMKTVHQJRK-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000928642848 713247190 /nfs/dbraw/zinc/24/71/90/713247190.db2.gz IGGZBIHVCAEGND-SDQPKGBYSA-N 1 2 320.389 1.338 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(OC)C3=O)CC2)cc1F ZINC000929824601 713698717 /nfs/dbraw/zinc/69/87/17/713698717.db2.gz XHEUJIBDJYZVLO-AWEZNQCLSA-N 1 2 323.368 1.119 20 10 DDCDLO COc1cc(C(=O)NCc2c[nH+]cn2C2CCC2)cc(O)c1O ZINC001193119165 745983887 /nfs/dbraw/zinc/98/38/87/745983887.db2.gz FFSIIBRGTMMMPA-UHFFFAOYSA-N 1 2 317.345 1.958 20 10 DDCDLO COc1ccc(C[NH2+]CCNC(=O)c2[nH]ncc2F)cc1C ZINC001133470976 769872503 /nfs/dbraw/zinc/87/25/03/769872503.db2.gz RAGIRCIMIBEUSI-UHFFFAOYSA-N 1 2 306.341 1.385 20 10 DDCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3c(C)cccc3O)C2)OCC1=O ZINC001274301042 852139947 /nfs/dbraw/zinc/13/99/47/852139947.db2.gz MHBPBOQKQUPUOJ-CQSZACIVSA-N 1 2 318.417 1.912 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001139125537 860295468 /nfs/dbraw/zinc/29/54/68/860295468.db2.gz XBLIXJLPCBSQQW-TXEJJXNPSA-N 1 2 301.342 1.885 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001139125537 860295470 /nfs/dbraw/zinc/29/54/70/860295470.db2.gz XBLIXJLPCBSQQW-TXEJJXNPSA-N 1 2 301.342 1.885 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H]1C(N)=O ZINC001139126768 860296041 /nfs/dbraw/zinc/29/60/41/860296041.db2.gz PNBMRJZUNFAKBC-LBPRGKRZSA-N 1 2 302.330 1.257 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H]1C(N)=O ZINC001139126768 860296048 /nfs/dbraw/zinc/29/60/48/860296048.db2.gz PNBMRJZUNFAKBC-LBPRGKRZSA-N 1 2 302.330 1.257 20 10 DDCDLO c1n[nH]cc1C[N@@H+]1CCC12CN(c1ccc3c(c1)OCCO3)C2 ZINC001277013485 881660507 /nfs/dbraw/zinc/66/05/07/881660507.db2.gz BYSISFGPUKUZEP-UHFFFAOYSA-N 1 2 312.373 1.646 20 10 DDCDLO c1n[nH]cc1C[N@H+]1CCC12CN(c1ccc3c(c1)OCCO3)C2 ZINC001277013485 881660512 /nfs/dbraw/zinc/66/05/12/881660512.db2.gz BYSISFGPUKUZEP-UHFFFAOYSA-N 1 2 312.373 1.646 20 10 DDCDLO Cn1c(C2SC=CC2=O)nnc1N1CC[NH+](C2CC2)CC1 ZINC001337954691 869713437 /nfs/dbraw/zinc/71/34/37/869713437.db2.gz AKBWQYJTFRKAQW-UHFFFAOYSA-N 1 2 305.407 1.534 20 10 DDCDLO COCc1n[nH]c(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001350135851 875545773 /nfs/dbraw/zinc/54/57/73/875545773.db2.gz KDHVPCHJKPSEGJ-UHFFFAOYSA-N 1 2 301.394 1.841 20 10 DDCDLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2C(N)=O)c(O)c1 ZINC001277567759 885875860 /nfs/dbraw/zinc/87/58/60/885875860.db2.gz HUVSKYNHGXNJAR-CQSZACIVSA-N 1 2 300.362 1.157 20 10 DDCDLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2C(N)=O)c(O)c1 ZINC001277567759 885875868 /nfs/dbraw/zinc/87/58/68/885875868.db2.gz HUVSKYNHGXNJAR-CQSZACIVSA-N 1 2 300.362 1.157 20 10 DDCDLO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC001232834776 886620238 /nfs/dbraw/zinc/62/02/38/886620238.db2.gz MGPOJIODFALCBN-INIZCTEOSA-N 1 2 305.422 1.365 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CCN[C@H](C(F)(F)F)C3)ccc21 ZINC001236982671 889459710 /nfs/dbraw/zinc/45/97/10/889459710.db2.gz VPRKEOPGOULDGG-AWEZNQCLSA-N 1 2 315.339 1.851 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CCN[C@H](C(F)(F)F)C3)ccc21 ZINC001236982671 889459720 /nfs/dbraw/zinc/45/97/20/889459720.db2.gz VPRKEOPGOULDGG-AWEZNQCLSA-N 1 2 315.339 1.851 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC001237617531 889762736 /nfs/dbraw/zinc/76/27/36/889762736.db2.gz SHFYOXHTAHFOEV-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC001237617531 889762744 /nfs/dbraw/zinc/76/27/44/889762744.db2.gz SHFYOXHTAHFOEV-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)NCc2[nH+]ccn2C)cc1 ZINC000264091708 408365898 /nfs/dbraw/zinc/36/58/98/408365898.db2.gz DUMLZBVUQYKIRX-UHFFFAOYSA-N 1 2 301.394 1.828 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000276307828 408833036 /nfs/dbraw/zinc/83/30/36/408833036.db2.gz VIHVHBIEJAVXEU-HOCLYGCPSA-N 1 2 323.389 1.679 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000276307828 408833037 /nfs/dbraw/zinc/83/30/37/408833037.db2.gz VIHVHBIEJAVXEU-HOCLYGCPSA-N 1 2 323.389 1.679 20 10 DDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000294949547 409306022 /nfs/dbraw/zinc/30/60/22/409306022.db2.gz CXFUYIGRQJYVGA-JTQLQIEISA-N 1 2 306.815 1.463 20 10 DDCDLO C[C@H](O)CNc1cc(NCc2ccc(N(C)C)cc2)nc[nH+]1 ZINC000298197361 410129349 /nfs/dbraw/zinc/12/93/49/410129349.db2.gz HYOLOVMGCPCZIU-LBPRGKRZSA-N 1 2 301.394 1.947 20 10 DDCDLO C[C@H](O)CNc1cc(NCc2ccc(N(C)C)cc2)[nH+]cn1 ZINC000298197361 410129356 /nfs/dbraw/zinc/12/93/56/410129356.db2.gz HYOLOVMGCPCZIU-LBPRGKRZSA-N 1 2 301.394 1.947 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1)OCO2 ZINC000377690643 418713538 /nfs/dbraw/zinc/71/35/38/418713538.db2.gz DIOKHURRAIAUEX-JSGCOSHPSA-N 1 2 307.346 1.501 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1)OCO2 ZINC000377690643 418713542 /nfs/dbraw/zinc/71/35/42/418713542.db2.gz DIOKHURRAIAUEX-JSGCOSHPSA-N 1 2 307.346 1.501 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368372749 418720110 /nfs/dbraw/zinc/72/01/10/418720110.db2.gz BNHKSGJCMCUBRI-OAHLLOKOSA-N 1 2 319.405 1.397 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368372749 418720112 /nfs/dbraw/zinc/72/01/12/418720112.db2.gz BNHKSGJCMCUBRI-OAHLLOKOSA-N 1 2 319.405 1.397 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278261389 277365016 /nfs/dbraw/zinc/36/50/16/277365016.db2.gz QOUPMQRMZWRSOE-LBPRGKRZSA-N 1 2 323.349 1.265 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278261389 277365017 /nfs/dbraw/zinc/36/50/17/277365017.db2.gz QOUPMQRMZWRSOE-LBPRGKRZSA-N 1 2 323.349 1.265 20 10 DDCDLO C[N@H+](Cc1nnnn1CC(F)(F)F)Cc1ccccc1O ZINC000190986419 523615098 /nfs/dbraw/zinc/61/50/98/523615098.db2.gz SQYJBQZJCCNVSF-UHFFFAOYSA-N 1 2 301.272 1.573 20 10 DDCDLO C[N@@H+](Cc1nnnn1CC(F)(F)F)Cc1ccccc1O ZINC000190986419 523615111 /nfs/dbraw/zinc/61/51/11/523615111.db2.gz SQYJBQZJCCNVSF-UHFFFAOYSA-N 1 2 301.272 1.573 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000779143536 698399146 /nfs/dbraw/zinc/39/91/46/698399146.db2.gz KLDRFNBQXTZAAW-UKRRQHHQSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000779143536 698399151 /nfs/dbraw/zinc/39/91/51/698399151.db2.gz KLDRFNBQXTZAAW-UKRRQHHQSA-N 1 2 323.389 1.943 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000715719941 699276179 /nfs/dbraw/zinc/27/61/79/699276179.db2.gz HKVVWXKPGVUSLA-GHMZBOCLSA-N 1 2 320.158 1.533 20 10 DDCDLO CCNC(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715777430 699276871 /nfs/dbraw/zinc/27/68/71/699276871.db2.gz GGIJEMPECXFIAU-UHFFFAOYSA-N 1 2 305.147 1.520 20 10 DDCDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1=CC(=O)CS1)C2 ZINC000854412823 704393253 /nfs/dbraw/zinc/39/32/53/704393253.db2.gz MZHHPONBWGPVKS-SNVBAGLBSA-N 1 2 321.402 1.238 20 10 DDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000854987465 704465284 /nfs/dbraw/zinc/46/52/84/704465284.db2.gz DKMCITATEXLWFU-UHFFFAOYSA-N 1 2 317.345 1.250 20 10 DDCDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000823835136 705326782 /nfs/dbraw/zinc/32/67/82/705326782.db2.gz UMUIKRJNHMRGNL-CYBMUJFWSA-N 1 2 314.389 1.666 20 10 DDCDLO COCCOCC[N@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000862469047 705720964 /nfs/dbraw/zinc/72/09/64/705720964.db2.gz XIMFCJIBXSHULB-UHFFFAOYSA-N 1 2 321.776 1.642 20 10 DDCDLO COCCOCC[N@@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000862469047 705720966 /nfs/dbraw/zinc/72/09/66/705720966.db2.gz XIMFCJIBXSHULB-UHFFFAOYSA-N 1 2 321.776 1.642 20 10 DDCDLO CN(C)c1cc(F)c(C[N@@H+]2CCSC[C@@H]2CO)cc1F ZINC000877780623 706208274 /nfs/dbraw/zinc/20/82/74/706208274.db2.gz WSBIKWCZEZMWDZ-NSHDSACASA-N 1 2 302.390 1.941 20 10 DDCDLO CN(C)c1cc(F)c(C[N@H+]2CCSC[C@@H]2CO)cc1F ZINC000877780623 706208275 /nfs/dbraw/zinc/20/82/75/706208275.db2.gz WSBIKWCZEZMWDZ-NSHDSACASA-N 1 2 302.390 1.941 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC000830462287 706521537 /nfs/dbraw/zinc/52/15/37/706521537.db2.gz PZFVTYNVWAJDCR-CQSZACIVSA-N 1 2 321.396 1.388 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC000830462287 706521538 /nfs/dbraw/zinc/52/15/38/706521538.db2.gz PZFVTYNVWAJDCR-CQSZACIVSA-N 1 2 321.396 1.388 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000835050213 707161984 /nfs/dbraw/zinc/16/19/84/707161984.db2.gz QBGFEKGJYULYSZ-YIEVGGLXSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000835050213 707161990 /nfs/dbraw/zinc/16/19/90/707161990.db2.gz QBGFEKGJYULYSZ-YIEVGGLXSA-N 1 2 308.447 1.885 20 10 DDCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000894463734 711135454 /nfs/dbraw/zinc/13/54/54/711135454.db2.gz CYZGLLPHJSZHTO-UHFFFAOYSA-N 1 2 324.306 1.922 20 10 DDCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000894682939 711238331 /nfs/dbraw/zinc/23/83/31/711238331.db2.gz GRQHPLMGAGAVQX-OAHLLOKOSA-N 1 2 305.374 1.889 20 10 DDCDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000894682939 711238334 /nfs/dbraw/zinc/23/83/34/711238334.db2.gz GRQHPLMGAGAVQX-OAHLLOKOSA-N 1 2 305.374 1.889 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(OC)C3=O)CC2)cc1F ZINC000929824604 713698868 /nfs/dbraw/zinc/69/88/68/713698868.db2.gz XHEUJIBDJYZVLO-CQSZACIVSA-N 1 2 323.368 1.119 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccccc1O ZINC000925589406 714894039 /nfs/dbraw/zinc/89/40/39/714894039.db2.gz YKOCPBBXBDMTPF-HNNXBMFYSA-N 1 2 321.421 1.644 20 10 DDCDLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464607 746850607 /nfs/dbraw/zinc/85/06/07/746850607.db2.gz VBYUVUIMHQKFIR-SNVBAGLBSA-N 1 2 319.365 1.298 20 10 DDCDLO COCCOCN1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001276360342 855723922 /nfs/dbraw/zinc/72/39/22/855723922.db2.gz RPBLKKNNJISCMM-UHFFFAOYSA-N 1 2 324.396 1.660 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccncn3)CC2)c(OC)c1 ZINC001140348938 860624968 /nfs/dbraw/zinc/62/49/68/860624968.db2.gz KAHPOLMZLKKHEB-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c(OC)c1 ZINC001141031913 860768218 /nfs/dbraw/zinc/76/82/18/860768218.db2.gz NNPNROGQUZHPOO-ZDUSSCGKSA-N 1 2 322.405 1.316 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC001142524598 861171148 /nfs/dbraw/zinc/17/11/48/861171148.db2.gz CLYYYMCUFFJKCO-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)n1cc[nH+]c1 ZINC001323240778 866462337 /nfs/dbraw/zinc/46/23/37/866462337.db2.gz QVLTVLHCOFCPHD-GFCCVEGCSA-N 1 2 300.362 1.936 20 10 DDCDLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(O)c(O)c1)CCO2 ZINC001203876697 870811124 /nfs/dbraw/zinc/81/11/24/870811124.db2.gz HYFMJFIPUSBLDE-UHFFFAOYSA-N 1 2 320.389 1.311 20 10 DDCDLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(O)c(O)c1)CCO2 ZINC001203876697 870811132 /nfs/dbraw/zinc/81/11/32/870811132.db2.gz HYFMJFIPUSBLDE-UHFFFAOYSA-N 1 2 320.389 1.311 20 10 DDCDLO Oc1ccc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)cc1O ZINC001203882910 870816306 /nfs/dbraw/zinc/81/63/06/870816306.db2.gz WXSZDNKTLIECIH-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014269 886728260 /nfs/dbraw/zinc/72/82/60/886728260.db2.gz NWJGJVTVENGBNF-UHFFFAOYSA-N 1 2 324.377 1.760 20 10 DDCDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483950 887016005 /nfs/dbraw/zinc/01/60/05/887016005.db2.gz RWGDUGYKLAGJKA-NSHDSACASA-N 1 2 319.361 1.278 20 10 DDCDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483950 887016019 /nfs/dbraw/zinc/01/60/19/887016019.db2.gz RWGDUGYKLAGJKA-NSHDSACASA-N 1 2 319.361 1.278 20 10 DDCDLO CC(=O)NC1C[NH+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055896 889483439 /nfs/dbraw/zinc/48/34/39/889483439.db2.gz IUZCFAHDVSYJGJ-UHFFFAOYSA-N 1 2 318.295 1.654 20 10 DDCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001237121323 889509821 /nfs/dbraw/zinc/50/98/21/889509821.db2.gz BYSPRMZZPRRSOC-JTQLQIEISA-N 1 2 300.761 1.701 20 10 DDCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001237121323 889509828 /nfs/dbraw/zinc/50/98/28/889509828.db2.gz BYSPRMZZPRRSOC-JTQLQIEISA-N 1 2 300.761 1.701 20 10 DDCDLO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273561405 130137706 /nfs/dbraw/zinc/13/77/06/130137706.db2.gz IHDDFYVVRHNQSY-YMTOWFKASA-N 1 2 306.322 1.418 20 10 DDCDLO CC[C@@H](C(=O)OC)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177712733 408693184 /nfs/dbraw/zinc/69/31/84/408693184.db2.gz PKZGSSZCZXBVJK-AWEZNQCLSA-N 1 2 310.369 1.908 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](C2CCOCC2)CC1 ZINC000276502852 408871712 /nfs/dbraw/zinc/87/17/12/408871712.db2.gz CMYQYGGCTICHHO-UHFFFAOYSA-N 1 2 324.352 1.174 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(C(C)=O)C[C@H]2C)c1O ZINC000268742756 277106041 /nfs/dbraw/zinc/10/60/41/277106041.db2.gz ZZAPMXXPCXQFCF-SNVBAGLBSA-N 1 2 308.353 1.787 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)c1O ZINC000268742756 277106042 /nfs/dbraw/zinc/10/60/42/277106042.db2.gz ZZAPMXXPCXQFCF-SNVBAGLBSA-N 1 2 308.353 1.787 20 10 DDCDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccccc1O ZINC000109769952 696638327 /nfs/dbraw/zinc/63/83/27/696638327.db2.gz IFOSKKLLZLCPSS-JTQLQIEISA-N 1 2 302.382 1.418 20 10 DDCDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccccc1O ZINC000109769952 696638329 /nfs/dbraw/zinc/63/83/29/696638329.db2.gz IFOSKKLLZLCPSS-JTQLQIEISA-N 1 2 302.382 1.418 20 10 DDCDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)NS(C)(=O)=O ZINC000124797196 696746298 /nfs/dbraw/zinc/74/62/98/696746298.db2.gz BIHAXJIHHUHGOC-UHFFFAOYSA-N 1 2 306.815 1.463 20 10 DDCDLO O=C(NCCO)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775652780 698019929 /nfs/dbraw/zinc/01/99/29/698019929.db2.gz TUTYBTKJUZWYEE-UHFFFAOYSA-N 1 2 312.797 1.366 20 10 DDCDLO Cc1nc(N(C)C)nc(N[C@H](C)Cc2ccc(O)c(O)c2)[nH+]1 ZINC000782041712 698678121 /nfs/dbraw/zinc/67/81/21/698678121.db2.gz JLMYQQAYNAFEKD-SECBINFHSA-N 1 2 303.366 1.700 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C(F)F)C1)[C@H](O)CO2 ZINC000800853484 700249049 /nfs/dbraw/zinc/24/90/49/700249049.db2.gz RIBKSMWXOZDFPN-YPMHNXCESA-N 1 2 301.289 1.284 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C(F)F)C1)[C@H](O)CO2 ZINC000800853484 700249053 /nfs/dbraw/zinc/24/90/53/700249053.db2.gz RIBKSMWXOZDFPN-YPMHNXCESA-N 1 2 301.289 1.284 20 10 DDCDLO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000322821466 698737005 /nfs/dbraw/zinc/73/70/05/698737005.db2.gz WPMHKQPCPJBQGC-MRVPVSSYSA-N 1 2 301.184 1.769 20 10 DDCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000783733547 698871550 /nfs/dbraw/zinc/87/15/50/698871550.db2.gz MELVQKNOFSMZRN-AWEZNQCLSA-N 1 2 303.406 1.186 20 10 DDCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000783733547 698871555 /nfs/dbraw/zinc/87/15/55/698871555.db2.gz MELVQKNOFSMZRN-AWEZNQCLSA-N 1 2 303.406 1.186 20 10 DDCDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000769423017 701244498 /nfs/dbraw/zinc/24/44/98/701244498.db2.gz OIPFJCBFEMYKSV-NSHDSACASA-N 1 2 301.408 1.656 20 10 DDCDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000769423017 701244499 /nfs/dbraw/zinc/24/44/99/701244499.db2.gz OIPFJCBFEMYKSV-NSHDSACASA-N 1 2 301.408 1.656 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434523 702881740 /nfs/dbraw/zinc/88/17/40/702881740.db2.gz ZHLVVKGKUAPFEU-NXEZZACHSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434523 702881741 /nfs/dbraw/zinc/88/17/41/702881741.db2.gz ZHLVVKGKUAPFEU-NXEZZACHSA-N 1 2 317.744 1.541 20 10 DDCDLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871205115 704243385 /nfs/dbraw/zinc/24/33/85/704243385.db2.gz WWEMENVRKFTLJG-INIZCTEOSA-N 1 2 316.401 1.878 20 10 DDCDLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871205115 704243387 /nfs/dbraw/zinc/24/33/87/704243387.db2.gz WWEMENVRKFTLJG-INIZCTEOSA-N 1 2 316.401 1.878 20 10 DDCDLO CC(C)(CO)[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876745566 705854015 /nfs/dbraw/zinc/85/40/15/705854015.db2.gz NBINGWNKVMKRNM-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO C[C@@H]1CN(CCO)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053029 707162964 /nfs/dbraw/zinc/16/29/64/707162964.db2.gz AEOFAVLCLIHNKP-DWTRPJMMSA-N 1 2 303.450 1.764 20 10 DDCDLO C[C@@H]1CN(CCO)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053029 707162968 /nfs/dbraw/zinc/16/29/68/707162968.db2.gz AEOFAVLCLIHNKP-DWTRPJMMSA-N 1 2 303.450 1.764 20 10 DDCDLO CN(C)c1cc(NCc2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000891968615 710342414 /nfs/dbraw/zinc/34/24/14/710342414.db2.gz YXAYSVFXFHKRQP-UHFFFAOYSA-N 1 2 313.405 1.991 20 10 DDCDLO CN(C)c1cc(NCc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000891968615 710342415 /nfs/dbraw/zinc/34/24/15/710342415.db2.gz YXAYSVFXFHKRQP-UHFFFAOYSA-N 1 2 313.405 1.991 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(C)ccc1O ZINC000925612891 714899634 /nfs/dbraw/zinc/89/96/34/714899634.db2.gz NMFHLRXGWNGZHJ-OAHLLOKOSA-N 1 2 321.421 1.611 20 10 DDCDLO C[C@@H]([NH2+][C@H]1CNOC1)c1cc(Br)cc(F)c1O ZINC000925869549 714954437 /nfs/dbraw/zinc/95/44/37/714954437.db2.gz MTRUPFUJLMKGBE-SVRRBLITSA-N 1 2 305.147 1.848 20 10 DDCDLO CC[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)CCO1 ZINC001170159672 765961866 /nfs/dbraw/zinc/96/18/66/765961866.db2.gz BGMNEJPEGAXVHA-MCIONIFRSA-N 1 2 323.389 1.729 20 10 DDCDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(O)c1O ZINC001148225268 773403105 /nfs/dbraw/zinc/40/31/05/773403105.db2.gz ISGRUCVBXFGAEW-CQSZACIVSA-N 1 2 322.405 1.575 20 10 DDCDLO CCOCc1ncn2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001204275133 779821482 /nfs/dbraw/zinc/82/14/82/779821482.db2.gz XGIWCQPNMNYVBC-UHFFFAOYSA-N 1 2 303.362 1.847 20 10 DDCDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204275133 779821484 /nfs/dbraw/zinc/82/14/84/779821484.db2.gz XGIWCQPNMNYVBC-UHFFFAOYSA-N 1 2 303.362 1.847 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001139126459 860296912 /nfs/dbraw/zinc/29/69/12/860296912.db2.gz IHAUMEPUEGSVGB-GXTWGEPZSA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001139126459 860296916 /nfs/dbraw/zinc/29/69/16/860296916.db2.gz IHAUMEPUEGSVGB-GXTWGEPZSA-N 1 2 307.321 1.712 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c(OC)c1 ZINC001141029126 860767311 /nfs/dbraw/zinc/76/73/11/860767311.db2.gz JQJYEKIHCRLMAR-DOMZBBRYSA-N 1 2 306.406 1.935 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c(OC)c1 ZINC001141029126 860767314 /nfs/dbraw/zinc/76/73/14/860767314.db2.gz JQJYEKIHCRLMAR-DOMZBBRYSA-N 1 2 306.406 1.935 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001319712597 866243565 /nfs/dbraw/zinc/24/35/65/866243565.db2.gz OISYXJPMSZFINN-SFHVURJKSA-N 1 2 317.433 1.624 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001319712597 866243582 /nfs/dbraw/zinc/24/35/82/866243582.db2.gz OISYXJPMSZFINN-SFHVURJKSA-N 1 2 317.433 1.624 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931099 870840811 /nfs/dbraw/zinc/84/08/11/870840811.db2.gz MXEOGWWPPZWGLX-AWEZNQCLSA-N 1 2 315.421 1.627 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931099 870840822 /nfs/dbraw/zinc/84/08/22/870840822.db2.gz MXEOGWWPPZWGLX-AWEZNQCLSA-N 1 2 315.421 1.627 20 10 DDCDLO O=C([C@@H]1CC12C[NH+](Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001276915170 881077549 /nfs/dbraw/zinc/07/75/49/881077549.db2.gz YWEXFPCVISTCDT-ZDUSSCGKSA-N 1 2 318.373 1.474 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)CCN1C ZINC001231854283 885908352 /nfs/dbraw/zinc/90/83/52/885908352.db2.gz DVRVJQLJAOUIGK-OAHLLOKOSA-N 1 2 321.421 1.050 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)CCN1C ZINC001231854283 885908367 /nfs/dbraw/zinc/90/83/67/885908367.db2.gz DVRVJQLJAOUIGK-OAHLLOKOSA-N 1 2 321.421 1.050 20 10 DDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cnccn2)CC1 ZINC001233331822 886928004 /nfs/dbraw/zinc/92/80/04/886928004.db2.gz MLHOWJVMSMAUQY-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935692 889946467 /nfs/dbraw/zinc/94/64/67/889946467.db2.gz XNFKNDVPRDEDRH-KBPBESRZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935692 889946479 /nfs/dbraw/zinc/94/64/79/889946479.db2.gz XNFKNDVPRDEDRH-KBPBESRZSA-N 1 2 303.761 1.750 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000298243237 132052445 /nfs/dbraw/zinc/05/24/45/132052445.db2.gz SIIPZIMZUDFCDQ-DLBZAZTESA-N 1 2 317.433 1.622 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000298243237 132052447 /nfs/dbraw/zinc/05/24/47/132052447.db2.gz SIIPZIMZUDFCDQ-DLBZAZTESA-N 1 2 317.433 1.622 20 10 DDCDLO CCOc1cccc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000093816455 407202522 /nfs/dbraw/zinc/20/25/22/407202522.db2.gz DFVLPAJZUAWITI-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO CCOc1cccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000093816455 407202524 /nfs/dbraw/zinc/20/25/24/407202524.db2.gz DFVLPAJZUAWITI-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO COC(=O)CN(Cc1[nH+]ccn1C)Cc1cc(Cl)ccc1O ZINC000111238299 407402614 /nfs/dbraw/zinc/40/26/14/407402614.db2.gz QFUBJUWQJPXIGS-UHFFFAOYSA-N 1 2 323.780 1.954 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179572930 407809201 /nfs/dbraw/zinc/80/92/01/407809201.db2.gz FOATWANLUKTJHK-CQSZACIVSA-N 1 2 324.808 1.869 20 10 DDCDLO CCN(CCC[NH2+]Cc1cccc(Cl)c1O)S(C)(=O)=O ZINC000158117634 408329083 /nfs/dbraw/zinc/32/90/83/408329083.db2.gz CCYFRYFFPCQMTH-UHFFFAOYSA-N 1 2 320.842 1.807 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000289684267 409284250 /nfs/dbraw/zinc/28/42/50/409284250.db2.gz FEXQLDNRISTPFR-CQSZACIVSA-N 1 2 314.313 1.605 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000289684267 409284254 /nfs/dbraw/zinc/28/42/54/409284254.db2.gz FEXQLDNRISTPFR-CQSZACIVSA-N 1 2 314.313 1.605 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(C)=O)CC2)c1O ZINC000194175572 222171947 /nfs/dbraw/zinc/17/19/47/222171947.db2.gz QMAHOSKUQHDXPN-UHFFFAOYSA-N 1 2 308.353 1.788 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(C)=O)CC2)c1O ZINC000194175572 222171951 /nfs/dbraw/zinc/17/19/51/222171951.db2.gz QMAHOSKUQHDXPN-UHFFFAOYSA-N 1 2 308.353 1.788 20 10 DDCDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000377199252 418706835 /nfs/dbraw/zinc/70/68/35/418706835.db2.gz TWURITSZLDYKGX-QMMMGPOBSA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000377199252 418706838 /nfs/dbraw/zinc/70/68/38/418706838.db2.gz TWURITSZLDYKGX-QMMMGPOBSA-N 1 2 322.789 1.438 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1OC ZINC000377303371 418708075 /nfs/dbraw/zinc/70/80/75/418708075.db2.gz CMNQYJYGIDWCOF-WSVYEEACSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1OC ZINC000377303371 418708077 /nfs/dbraw/zinc/70/80/77/418708077.db2.gz CMNQYJYGIDWCOF-WSVYEEACSA-N 1 2 313.419 1.752 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1F ZINC000377704737 418713936 /nfs/dbraw/zinc/71/39/36/418713936.db2.gz YNWVKGSCSSXLBO-SWLSCSKDSA-N 1 2 312.410 1.511 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1F ZINC000377704737 418713938 /nfs/dbraw/zinc/71/39/38/418713938.db2.gz YNWVKGSCSSXLBO-SWLSCSKDSA-N 1 2 312.410 1.511 20 10 DDCDLO COC(=O)[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)O ZINC000372772119 418900448 /nfs/dbraw/zinc/90/04/48/418900448.db2.gz JDKUEYVJSDRCCW-WBMJQRKESA-N 1 2 322.405 1.176 20 10 DDCDLO O=C1OC[C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000365252623 418845653 /nfs/dbraw/zinc/84/56/53/418845653.db2.gz CQPLQFFOARVVMN-MRVPVSSYSA-N 1 2 300.717 1.821 20 10 DDCDLO O=C1OC[C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000365252623 418845654 /nfs/dbraw/zinc/84/56/54/418845654.db2.gz CQPLQFFOARVVMN-MRVPVSSYSA-N 1 2 300.717 1.821 20 10 DDCDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(O)c1O)CCC2 ZINC000365789279 418908600 /nfs/dbraw/zinc/90/86/00/418908600.db2.gz RZSCUCFTCNEAOY-NSHDSACASA-N 1 2 301.346 1.910 20 10 DDCDLO CNC(=O)N1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000273789880 536317924 /nfs/dbraw/zinc/31/79/24/536317924.db2.gz VDHNQLKMCNZPJL-UHFFFAOYSA-N 1 2 313.785 1.511 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000007359605 696025448 /nfs/dbraw/zinc/02/54/48/696025448.db2.gz FLMHWUTWYBRNJC-OAHLLOKOSA-N 1 2 319.449 1.978 20 10 DDCDLO CC[C@H](C(=O)NCc1ccccc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000774067328 697839377 /nfs/dbraw/zinc/83/93/77/697839377.db2.gz XZNNOLFMPHWVFF-LSDHHAIUSA-N 1 2 306.406 1.898 20 10 DDCDLO CC[C@H](C(=O)NCc1ccccc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC000774067328 697839381 /nfs/dbraw/zinc/83/93/81/697839381.db2.gz XZNNOLFMPHWVFF-LSDHHAIUSA-N 1 2 306.406 1.898 20 10 DDCDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000776337891 698096495 /nfs/dbraw/zinc/09/64/95/698096495.db2.gz BXMXPZZELVOAMD-UHFFFAOYSA-N 1 2 314.389 1.116 20 10 DDCDLO O=C1CC[C@H]([NH2+]Cc2cccc(Br)c2O)CCN1 ZINC000396674483 699112406 /nfs/dbraw/zinc/11/24/06/699112406.db2.gz BDWCHPXCXNNTFL-JTQLQIEISA-N 1 2 313.195 1.913 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](CO)O1 ZINC000787417676 699211062 /nfs/dbraw/zinc/21/10/62/699211062.db2.gz MSUTYQAPBZFNGN-DZGCQCFKSA-N 1 2 324.396 1.244 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](CO)O1 ZINC000787417676 699211064 /nfs/dbraw/zinc/21/10/64/699211064.db2.gz MSUTYQAPBZFNGN-DZGCQCFKSA-N 1 2 324.396 1.244 20 10 DDCDLO CO[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CCS(=O)(=O)C1 ZINC000721268028 699312490 /nfs/dbraw/zinc/31/24/90/699312490.db2.gz QQRJJLPOUCCJAP-ZDUSSCGKSA-N 1 2 319.810 1.339 20 10 DDCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464823 701180486 /nfs/dbraw/zinc/18/04/86/701180486.db2.gz VVBIJCJNFHBDFL-YGRLFVJLSA-N 1 2 309.362 1.590 20 10 DDCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464823 701180489 /nfs/dbraw/zinc/18/04/89/701180489.db2.gz VVBIJCJNFHBDFL-YGRLFVJLSA-N 1 2 309.362 1.590 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1F ZINC000770388483 701275885 /nfs/dbraw/zinc/27/58/85/701275885.db2.gz BJDYZVBLLUNRQB-ZDUSSCGKSA-N 1 2 307.369 1.918 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1F ZINC000770388483 701275886 /nfs/dbraw/zinc/27/58/86/701275886.db2.gz BJDYZVBLLUNRQB-ZDUSSCGKSA-N 1 2 307.369 1.918 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845929762 703216788 /nfs/dbraw/zinc/21/67/88/703216788.db2.gz FGTSHSGNKFUPBQ-NEPJUHHUSA-N 1 2 303.362 1.993 20 10 DDCDLO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000848294228 703536914 /nfs/dbraw/zinc/53/69/14/703536914.db2.gz FIITWZNTNUZCLW-UPJWGTAASA-N 1 2 322.405 1.634 20 10 DDCDLO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000848294228 703536915 /nfs/dbraw/zinc/53/69/15/703536915.db2.gz FIITWZNTNUZCLW-UPJWGTAASA-N 1 2 322.405 1.634 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000855225486 704474072 /nfs/dbraw/zinc/47/40/72/704474072.db2.gz NRZQODVRLMESGL-ZDUSSCGKSA-N 1 2 314.389 1.746 20 10 DDCDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000862457090 705718879 /nfs/dbraw/zinc/71/88/79/705718879.db2.gz AVUCLEGVORQYSP-UHFFFAOYSA-N 1 2 324.446 1.564 20 10 DDCDLO COc1ccc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1C ZINC000883334314 707977635 /nfs/dbraw/zinc/97/76/35/707977635.db2.gz UNVFCJNHFNSQCV-UHFFFAOYSA-N 1 2 313.361 1.035 20 10 DDCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000898214621 708575353 /nfs/dbraw/zinc/57/53/53/708575353.db2.gz FZQLXRKEDOFXAC-KOLCDFICSA-N 1 2 303.811 1.958 20 10 DDCDLO O=c1ccn(CCC[NH2+]Cc2cccc(Cl)c2O)c(=O)[nH]1 ZINC000898331988 708612452 /nfs/dbraw/zinc/61/24/52/708612452.db2.gz HSTJWDHNGKYHNV-UHFFFAOYSA-N 1 2 309.753 1.488 20 10 DDCDLO CC[N@H+](CC(N)=O)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894540364 711171776 /nfs/dbraw/zinc/17/17/76/711171776.db2.gz GPNQJSTYLXZUJM-UHFFFAOYSA-N 1 2 321.352 1.411 20 10 DDCDLO CC[N@@H+](CC(N)=O)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894540364 711171780 /nfs/dbraw/zinc/17/17/80/711171780.db2.gz GPNQJSTYLXZUJM-UHFFFAOYSA-N 1 2 321.352 1.411 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C)[C@@H](CO)C2)c1O ZINC000931408684 714087578 /nfs/dbraw/zinc/08/75/78/714087578.db2.gz VTKPFPGMCCLUHO-CYBMUJFWSA-N 1 2 312.797 1.357 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)[C@@H](CO)C2)c1O ZINC000931408684 714087580 /nfs/dbraw/zinc/08/75/80/714087580.db2.gz VTKPFPGMCCLUHO-CYBMUJFWSA-N 1 2 312.797 1.357 20 10 DDCDLO O=C1COc2c[nH+]c(NCCc3cc(O)c(O)cc3O)cc2N1 ZINC001168008484 740565547 /nfs/dbraw/zinc/56/55/47/740565547.db2.gz AYPCQBVPBSVDSR-UHFFFAOYSA-N 1 2 317.301 1.184 20 10 DDCDLO O=C(Cc1ccc(O)c(O)c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001181569545 743248623 /nfs/dbraw/zinc/24/86/23/743248623.db2.gz VQHHWKVBLYQEAN-UHFFFAOYSA-N 1 2 315.373 1.845 20 10 DDCDLO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326232933 861217687 /nfs/dbraw/zinc/21/76/87/861217687.db2.gz UGHATQCCATWMTH-HOCLYGCPSA-N 1 2 320.456 1.747 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001139126741 860295433 /nfs/dbraw/zinc/29/54/33/860295433.db2.gz OORYODNQRQUDBO-NSHDSACASA-N 1 2 316.357 1.504 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001139126741 860295423 /nfs/dbraw/zinc/29/54/23/860295423.db2.gz OORYODNQRQUDBO-NSHDSACASA-N 1 2 316.357 1.504 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@@H+]2CC[C@H]2C1 ZINC001139130221 860297935 /nfs/dbraw/zinc/29/79/35/860297935.db2.gz UQBMDUZXLOYUJI-LBPRGKRZSA-N 1 2 300.358 1.697 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@H+]2CC[C@H]2C1 ZINC001139130221 860297946 /nfs/dbraw/zinc/29/79/46/860297946.db2.gz UQBMDUZXLOYUJI-LBPRGKRZSA-N 1 2 300.358 1.697 20 10 DDCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320509421 866786865 /nfs/dbraw/zinc/78/68/65/866786865.db2.gz QCEAGOFMJBMORQ-HNNXBMFYSA-N 1 2 317.433 1.312 20 10 DDCDLO C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC001336800361 869150248 /nfs/dbraw/zinc/15/02/48/869150248.db2.gz PWYRGBXGXIJGRI-CHWSQXEVSA-N 1 2 306.410 1.177 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc(O)c1O ZINC001204351193 871071846 /nfs/dbraw/zinc/07/18/46/871071846.db2.gz OHPZPACGUFPJRT-CYBMUJFWSA-N 1 2 320.389 1.597 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc(O)c1O ZINC001204351193 871071859 /nfs/dbraw/zinc/07/18/59/871071859.db2.gz OHPZPACGUFPJRT-CYBMUJFWSA-N 1 2 320.389 1.597 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CC3(CCN3Cc3ccc[nH]3)C2)cc1O ZINC001276516977 873126152 /nfs/dbraw/zinc/12/61/52/873126152.db2.gz XZIORYDVHGIHME-UHFFFAOYSA-N 1 2 315.373 1.592 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC001236749048 889328668 /nfs/dbraw/zinc/32/86/68/889328668.db2.gz FCJPYUUCZJRUKN-YVEFUNNKSA-N 1 2 321.373 1.937 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(OC)c(OC)cc1O ZINC001236749048 889328682 /nfs/dbraw/zinc/32/86/82/889328682.db2.gz FCJPYUUCZJRUKN-YVEFUNNKSA-N 1 2 321.373 1.937 20 10 DDCDLO CCc1ccc(C[N@@H+]2CCc3c(nnn3C)[C@H]2COC)c(O)c1 ZINC001236785663 889354352 /nfs/dbraw/zinc/35/43/52/889354352.db2.gz ANJITQQDWVTPGC-OAHLLOKOSA-N 1 2 316.405 1.829 20 10 DDCDLO CCc1ccc(C[N@H+]2CCc3c(nnn3C)[C@H]2COC)c(O)c1 ZINC001236785663 889354356 /nfs/dbraw/zinc/35/43/56/889354356.db2.gz ANJITQQDWVTPGC-OAHLLOKOSA-N 1 2 316.405 1.829 20 10 DDCDLO COC(=O)[C@H](O)C[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252420603 895131131 /nfs/dbraw/zinc/13/11/31/895131131.db2.gz RFJSZEVKOQKUIR-MRXNPFEDSA-N 1 2 318.373 1.079 20 10 DDCDLO COC(=O)[C@H](O)C[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252420603 895131138 /nfs/dbraw/zinc/13/11/38/895131138.db2.gz RFJSZEVKOQKUIR-MRXNPFEDSA-N 1 2 318.373 1.079 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000175578101 408167372 /nfs/dbraw/zinc/16/73/72/408167372.db2.gz YKDKHJUKNFIQEI-HNNXBMFYSA-N 1 2 320.364 1.977 20 10 DDCDLO CC[N@H+](CCCNS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000270007973 408478863 /nfs/dbraw/zinc/47/88/63/408478863.db2.gz KOIMATRQATVEQN-UHFFFAOYSA-N 1 2 300.424 1.851 20 10 DDCDLO CC[N@@H+](CCCNS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000270007973 408478871 /nfs/dbraw/zinc/47/88/71/408478871.db2.gz KOIMATRQATVEQN-UHFFFAOYSA-N 1 2 300.424 1.851 20 10 DDCDLO OCc1cn(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)nn1 ZINC000293998882 409223214 /nfs/dbraw/zinc/22/32/14/409223214.db2.gz SPMBXIVDNIAANG-UHFFFAOYSA-N 1 2 314.748 1.448 20 10 DDCDLO Oc1ccc(Br)cc1C[NH+]1CC(n2ccnn2)C1 ZINC000359993585 410990115 /nfs/dbraw/zinc/99/01/15/410990115.db2.gz KYEHNXILVDKYPM-UHFFFAOYSA-N 1 2 309.167 1.803 20 10 DDCDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000361733352 418703418 /nfs/dbraw/zinc/70/34/18/418703418.db2.gz MOJIIVAKCORGFW-LPZVBRGNSA-N 1 2 313.357 1.747 20 10 DDCDLO CC(C)NC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179887970 519707094 /nfs/dbraw/zinc/70/70/94/519707094.db2.gz MRWOTXOUWGRRRX-UHFFFAOYSA-N 1 2 309.385 1.174 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000189381596 522870082 /nfs/dbraw/zinc/87/00/82/522870082.db2.gz WZVNZIPVJYPAIP-IINYFYTJSA-N 1 2 311.353 1.970 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000189381596 522870087 /nfs/dbraw/zinc/87/00/87/522870087.db2.gz WZVNZIPVJYPAIP-IINYFYTJSA-N 1 2 311.353 1.970 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909687 536526222 /nfs/dbraw/zinc/52/62/22/536526222.db2.gz JRSXVUOVYYBZJS-PWSUYJOCSA-N 1 2 307.346 1.894 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909687 536526227 /nfs/dbraw/zinc/52/62/27/536526227.db2.gz JRSXVUOVYYBZJS-PWSUYJOCSA-N 1 2 307.346 1.894 20 10 DDCDLO CNC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975169 696390866 /nfs/dbraw/zinc/39/08/66/696390866.db2.gz NTEPXVJJGOWVPM-UHFFFAOYSA-N 1 2 317.345 1.443 20 10 DDCDLO CNC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975169 696390870 /nfs/dbraw/zinc/39/08/70/696390870.db2.gz NTEPXVJJGOWVPM-UHFFFAOYSA-N 1 2 317.345 1.443 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)cc1 ZINC000773754063 697800941 /nfs/dbraw/zinc/80/09/41/697800941.db2.gz KIGHYDMCZYIWHF-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)cc1 ZINC000773754063 697800944 /nfs/dbraw/zinc/80/09/44/697800944.db2.gz KIGHYDMCZYIWHF-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCCNC(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715746476 699276530 /nfs/dbraw/zinc/27/65/30/699276530.db2.gz WHICXBJSQAJPOG-UHFFFAOYSA-N 1 2 319.174 1.910 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547738 700627215 /nfs/dbraw/zinc/62/72/15/700627215.db2.gz GXOODVJRTCTZEO-IACUBPJLSA-N 1 2 321.377 1.814 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547738 700627216 /nfs/dbraw/zinc/62/72/16/700627216.db2.gz GXOODVJRTCTZEO-IACUBPJLSA-N 1 2 321.377 1.814 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@H](C)O1 ZINC000839573935 701741831 /nfs/dbraw/zinc/74/18/31/701741831.db2.gz HSGUMGWFLDZJAB-KFWWJZLASA-N 1 2 319.449 1.867 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@H](C)O1 ZINC000839573935 701741836 /nfs/dbraw/zinc/74/18/36/701741836.db2.gz HSGUMGWFLDZJAB-KFWWJZLASA-N 1 2 319.449 1.867 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000811502355 701994548 /nfs/dbraw/zinc/99/45/48/701994548.db2.gz RDEQLYWHJXBZDQ-MRXNPFEDSA-N 1 2 305.374 1.971 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000811502355 701994552 /nfs/dbraw/zinc/99/45/52/701994552.db2.gz RDEQLYWHJXBZDQ-MRXNPFEDSA-N 1 2 305.374 1.971 20 10 DDCDLO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000846189771 703248868 /nfs/dbraw/zinc/24/88/68/703248868.db2.gz SCAOOFLCCMOZPE-WCBMZHEXSA-N 1 2 320.361 1.355 20 10 DDCDLO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C2 ZINC000848926191 703604371 /nfs/dbraw/zinc/60/43/71/703604371.db2.gz MSDRIUHQXCQZIE-SNVBAGLBSA-N 1 2 310.760 1.960 20 10 DDCDLO CCN1CC[C@H]([NH+]2CCN(c3ccc(OC)c(F)c3)CC2)C1=O ZINC000851806942 703861087 /nfs/dbraw/zinc/86/10/87/703861087.db2.gz BRGWHBBZCIBRII-HNNXBMFYSA-N 1 2 321.396 1.577 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853249350 704224962 /nfs/dbraw/zinc/22/49/62/704224962.db2.gz PYZXKDFWJZAQET-UHFFFAOYSA-N 1 2 303.189 1.873 20 10 DDCDLO Oc1cc(Br)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000826043159 705762857 /nfs/dbraw/zinc/76/28/57/705762857.db2.gz DJYWMANQXAWUEV-LLVKDONJSA-N 1 2 302.168 1.348 20 10 DDCDLO Oc1cc(Br)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000826043159 705762858 /nfs/dbraw/zinc/76/28/58/705762858.db2.gz DJYWMANQXAWUEV-LLVKDONJSA-N 1 2 302.168 1.348 20 10 DDCDLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccccc1O ZINC000876616055 705785344 /nfs/dbraw/zinc/78/53/44/705785344.db2.gz QECWDRBXQLACDA-HNNXBMFYSA-N 1 2 302.378 1.795 20 10 DDCDLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccccc1O ZINC000876616055 705785348 /nfs/dbraw/zinc/78/53/48/705785348.db2.gz QECWDRBXQLACDA-HNNXBMFYSA-N 1 2 302.378 1.795 20 10 DDCDLO Oc1c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc(F)c1F ZINC000876688846 705820856 /nfs/dbraw/zinc/82/08/56/705820856.db2.gz WSIMSTAXAKDZRW-KGLIPLIRSA-N 1 2 312.360 1.701 20 10 DDCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462828 706114094 /nfs/dbraw/zinc/11/40/94/706114094.db2.gz VSXUCVKZJHCQDB-AWEZNQCLSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462828 706114097 /nfs/dbraw/zinc/11/40/97/706114097.db2.gz VSXUCVKZJHCQDB-AWEZNQCLSA-N 1 2 317.433 1.310 20 10 DDCDLO Cc1cc(Cn2cc(C[N@H+](C)CCO)nn2)ccc1N(C)C ZINC000881378195 707223356 /nfs/dbraw/zinc/22/33/56/707223356.db2.gz IBRDIKVKVBJULI-UHFFFAOYSA-N 1 2 303.410 1.125 20 10 DDCDLO Cc1cc(Cn2cc(C[N@@H+](C)CCO)nn2)ccc1N(C)C ZINC000881378195 707223359 /nfs/dbraw/zinc/22/33/59/707223359.db2.gz IBRDIKVKVBJULI-UHFFFAOYSA-N 1 2 303.410 1.125 20 10 DDCDLO COc1ccc(O)c(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c1 ZINC000901130409 709938384 /nfs/dbraw/zinc/93/83/84/709938384.db2.gz IAMDSZMOWHQVFN-UKTHLTGXSA-N 1 2 320.389 1.296 20 10 DDCDLO CC[C@H](C(=O)NCCc1ccc(N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911783684 710985607 /nfs/dbraw/zinc/98/56/07/710985607.db2.gz XMCNSSFSNPEESN-DLBZAZTESA-N 1 2 319.449 1.817 20 10 DDCDLO CC[C@H](C(=O)NCCc1ccc(N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911783684 710985610 /nfs/dbraw/zinc/98/56/10/710985610.db2.gz XMCNSSFSNPEESN-DLBZAZTESA-N 1 2 319.449 1.817 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894407747 711107203 /nfs/dbraw/zinc/10/72/03/711107203.db2.gz BOEDYMLCCKOGKC-KBPBESRZSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894407747 711107205 /nfs/dbraw/zinc/10/72/05/711107205.db2.gz BOEDYMLCCKOGKC-KBPBESRZSA-N 1 2 323.389 1.789 20 10 DDCDLO O=S1(=O)CC(C2C[NH+](Cc3c(O)cccc3Cl)C2)C1 ZINC000895428753 711510667 /nfs/dbraw/zinc/51/06/67/711510667.db2.gz WHJIBDJRRDQIEK-UHFFFAOYSA-N 1 2 301.795 1.522 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895704524 711583450 /nfs/dbraw/zinc/58/34/50/711583450.db2.gz WTFDNSRTDLAMKY-CYBMUJFWSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895704524 711583452 /nfs/dbraw/zinc/58/34/52/711583452.db2.gz WTFDNSRTDLAMKY-CYBMUJFWSA-N 1 2 303.717 1.295 20 10 DDCDLO OCCOCC1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000895829533 711619217 /nfs/dbraw/zinc/61/92/17/711619217.db2.gz JKRRRIVVILWUFO-UHFFFAOYSA-N 1 2 315.797 1.381 20 10 DDCDLO CNC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC001197758735 747248004 /nfs/dbraw/zinc/24/80/04/747248004.db2.gz LELRAKUDEBDPRH-CYBMUJFWSA-N 1 2 323.368 1.627 20 10 DDCDLO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC001197758735 747248010 /nfs/dbraw/zinc/24/80/10/747248010.db2.gz LELRAKUDEBDPRH-CYBMUJFWSA-N 1 2 323.368 1.627 20 10 DDCDLO CC[C@H](C)N1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272619631 846419259 /nfs/dbraw/zinc/41/92/59/846419259.db2.gz XGQWSCUWWUUTSU-ZDUSSCGKSA-N 1 2 304.390 1.604 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935695 846715010 /nfs/dbraw/zinc/71/50/10/846715010.db2.gz XNFKNDVPRDEDRH-KGLIPLIRSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935695 846715016 /nfs/dbraw/zinc/71/50/16/846715016.db2.gz XNFKNDVPRDEDRH-KGLIPLIRSA-N 1 2 303.761 1.750 20 10 DDCDLO CN1CC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001273409646 850026939 /nfs/dbraw/zinc/02/69/39/850026939.db2.gz KPDBBDWTLPIEJP-UHFFFAOYSA-N 1 2 318.417 1.733 20 10 DDCDLO COCCN1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141026216 860765140 /nfs/dbraw/zinc/76/51/40/860765140.db2.gz IEMBAESIDRXRIH-UHFFFAOYSA-N 1 2 310.394 1.173 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)N(C)C)CC2)c(OC)c1 ZINC001141031737 860768950 /nfs/dbraw/zinc/76/89/50/860768950.db2.gz JCTLSLQTPQGUBN-UHFFFAOYSA-N 1 2 323.393 1.209 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001141143968 860795338 /nfs/dbraw/zinc/79/53/38/860795338.db2.gz QGEIWAAVZTZOAJ-ZDUSSCGKSA-N 1 2 310.419 1.134 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001141143968 860795341 /nfs/dbraw/zinc/79/53/41/860795341.db2.gz QGEIWAAVZTZOAJ-ZDUSSCGKSA-N 1 2 310.419 1.134 20 10 DDCDLO Nc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001336863634 869187878 /nfs/dbraw/zinc/18/78/78/869187878.db2.gz UAPZFPGGTNBKJP-HNNXBMFYSA-N 1 2 311.389 1.742 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cccc(OC)c1O ZINC001203602133 870664384 /nfs/dbraw/zinc/66/43/84/870664384.db2.gz CGXLHBMSSKFJNB-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cccc(OC)c1O ZINC001203602133 870664391 /nfs/dbraw/zinc/66/43/91/870664391.db2.gz CGXLHBMSSKFJNB-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO COc1ccc(O)c(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC001346542149 873796378 /nfs/dbraw/zinc/79/63/78/873796378.db2.gz ZLOZTBOVBZVGFT-CYBMUJFWSA-N 1 2 304.350 1.660 20 10 DDCDLO CNc1cc(CNC(=O)NCc2ccc(OC)cc2O)cc[nH+]1 ZINC001347188419 874046745 /nfs/dbraw/zinc/04/67/45/874046745.db2.gz WXRUWJHSLNABNX-UHFFFAOYSA-N 1 2 316.361 1.837 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1O ZINC001352925375 877016907 /nfs/dbraw/zinc/01/69/07/877016907.db2.gz LHDSJAZKCAEFBY-MRVPVSSYSA-N 1 2 301.272 1.792 20 10 DDCDLO Cc1cccc(C[NH+]2CCN(C(=O)C(F)(F)F)CC2)c1O ZINC001231592025 885752467 /nfs/dbraw/zinc/75/24/67/885752467.db2.gz OMEHNQQTKVLQHF-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231592720 885756451 /nfs/dbraw/zinc/75/64/51/885756451.db2.gz PHEWNHZGMZLUNV-CQSZACIVSA-N 1 2 302.378 1.575 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231592720 885756460 /nfs/dbraw/zinc/75/64/60/885756460.db2.gz PHEWNHZGMZLUNV-CQSZACIVSA-N 1 2 302.378 1.575 20 10 DDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304376 888541095 /nfs/dbraw/zinc/54/10/95/888541095.db2.gz XTFGQDFRKGCCDN-SSDOTTSWSA-N 1 2 317.158 1.601 20 10 DDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304376 888541106 /nfs/dbraw/zinc/54/11/06/888541106.db2.gz XTFGQDFRKGCCDN-SSDOTTSWSA-N 1 2 317.158 1.601 20 10 DDCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(CC)cc1O ZINC001236791034 889356984 /nfs/dbraw/zinc/35/69/84/889356984.db2.gz ZEDJAWUEIKLZCE-CQSZACIVSA-N 1 2 320.389 1.208 20 10 DDCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(CC)cc1O ZINC001236791034 889357000 /nfs/dbraw/zinc/35/70/00/889357000.db2.gz ZEDJAWUEIKLZCE-CQSZACIVSA-N 1 2 320.389 1.208 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1Cl ZINC001236801183 889364246 /nfs/dbraw/zinc/36/42/46/889364246.db2.gz HBOIYMBXHUZPGZ-WDEREUQCSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1Cl ZINC001236801183 889364256 /nfs/dbraw/zinc/36/42/56/889364256.db2.gz HBOIYMBXHUZPGZ-WDEREUQCSA-N 1 2 301.770 1.229 20 10 DDCDLO NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1Br ZINC001278279603 890340808 /nfs/dbraw/zinc/34/08/08/890340808.db2.gz ZVOQXUBTWBSBEJ-ISVAXAHUSA-N 1 2 311.179 1.604 20 10 DDCDLO NC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1Br ZINC001278279603 890340823 /nfs/dbraw/zinc/34/08/23/890340823.db2.gz ZVOQXUBTWBSBEJ-ISVAXAHUSA-N 1 2 311.179 1.604 20 10 DDCDLO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000105301147 194095304 /nfs/dbraw/zinc/09/53/04/194095304.db2.gz NMMIOSFULPDZHN-KBPBESRZSA-N 1 2 321.421 1.643 20 10 DDCDLO O=C(c1ccccn1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272325817 130020428 /nfs/dbraw/zinc/02/04/28/130020428.db2.gz VHSPFSBHIRHIHM-UHFFFAOYSA-N 1 2 315.348 1.884 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271057957 407491436 /nfs/dbraw/zinc/49/14/36/407491436.db2.gz BCNGWVYDYFXHDM-UHFFFAOYSA-N 1 2 324.377 1.684 20 10 DDCDLO CN(C)c1ccc(C[N@H+](Cc2nc(N)nc(N)n2)C2CC2)cc1 ZINC000269509727 408335790 /nfs/dbraw/zinc/33/57/90/408335790.db2.gz OBHDADKVCIUEND-UHFFFAOYSA-N 1 2 313.409 1.267 20 10 DDCDLO CN(C)c1ccc(C[N@@H+](Cc2nc(N)nc(N)n2)C2CC2)cc1 ZINC000269509727 408335795 /nfs/dbraw/zinc/33/57/95/408335795.db2.gz OBHDADKVCIUEND-UHFFFAOYSA-N 1 2 313.409 1.267 20 10 DDCDLO COC[C@@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000269602884 408358783 /nfs/dbraw/zinc/35/87/83/408358783.db2.gz AXXXMSHQYBWATO-LBPRGKRZSA-N 1 2 317.769 1.028 20 10 DDCDLO COC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000269602884 408358786 /nfs/dbraw/zinc/35/87/86/408358786.db2.gz AXXXMSHQYBWATO-LBPRGKRZSA-N 1 2 317.769 1.028 20 10 DDCDLO CCC[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278143546 409072461 /nfs/dbraw/zinc/07/24/61/409072461.db2.gz BFYXBOGBXRQZHQ-UHFFFAOYSA-N 1 2 312.322 1.694 20 10 DDCDLO CCC[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278143546 409072464 /nfs/dbraw/zinc/07/24/64/409072464.db2.gz BFYXBOGBXRQZHQ-UHFFFAOYSA-N 1 2 312.322 1.694 20 10 DDCDLO OCc1cn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000293775914 409178702 /nfs/dbraw/zinc/17/87/02/409178702.db2.gz YXHVTTXKSANRJH-ZDUSSCGKSA-N 1 2 322.796 1.967 20 10 DDCDLO OCc1cn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000293775914 409178706 /nfs/dbraw/zinc/17/87/06/409178706.db2.gz YXHVTTXKSANRJH-ZDUSSCGKSA-N 1 2 322.796 1.967 20 10 DDCDLO C[C@@H](O)c1cn(C2C[NH+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000374797401 418563998 /nfs/dbraw/zinc/56/39/98/418563998.db2.gz FGAMAWWYVHGMLE-SECBINFHSA-N 1 2 308.769 1.747 20 10 DDCDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000372743793 418898038 /nfs/dbraw/zinc/89/80/38/418898038.db2.gz RKLZUCOTTZMDBN-JTQLQIEISA-N 1 2 304.799 1.299 20 10 DDCDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000372743793 418898039 /nfs/dbraw/zinc/89/80/39/418898039.db2.gz RKLZUCOTTZMDBN-JTQLQIEISA-N 1 2 304.799 1.299 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1COCCN1 ZINC000530180643 421583621 /nfs/dbraw/zinc/58/36/21/421583621.db2.gz DRMAPLAQNNUXJO-SNVBAGLBSA-N 1 2 301.184 1.233 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)c1O ZINC000157273108 518285187 /nfs/dbraw/zinc/28/51/87/518285187.db2.gz QCQROXBQCRGOEB-YGRLFVJLSA-N 1 2 311.353 1.706 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)c1O ZINC000157273108 518285190 /nfs/dbraw/zinc/28/51/90/518285190.db2.gz QCQROXBQCRGOEB-YGRLFVJLSA-N 1 2 311.353 1.706 20 10 DDCDLO CN1C[C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000365939456 524026225 /nfs/dbraw/zinc/02/62/25/524026225.db2.gz AEXYHJCPPSRGLO-VIFPVBQESA-N 1 2 313.760 1.736 20 10 DDCDLO CN1C[C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000365939456 524026227 /nfs/dbraw/zinc/02/62/27/524026227.db2.gz AEXYHJCPPSRGLO-VIFPVBQESA-N 1 2 313.760 1.736 20 10 DDCDLO CN1CCCc2cc(CNC(=O)NCCn3cc[nH+]c3)ccc21 ZINC000058483263 696304114 /nfs/dbraw/zinc/30/41/14/696304114.db2.gz SESOABWGUKFYBS-UHFFFAOYSA-N 1 2 313.405 1.765 20 10 DDCDLO COCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775645423 698018347 /nfs/dbraw/zinc/01/83/47/698018347.db2.gz LBUBKUZQLJDMGH-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000779215023 698402602 /nfs/dbraw/zinc/40/26/02/698402602.db2.gz GGMHCYKYZBFCKO-CYBMUJFWSA-N 1 2 322.405 1.852 20 10 DDCDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000779215023 698402604 /nfs/dbraw/zinc/40/26/04/698402604.db2.gz GGMHCYKYZBFCKO-CYBMUJFWSA-N 1 2 322.405 1.852 20 10 DDCDLO C[C@H](O)[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715748042 699276697 /nfs/dbraw/zinc/27/66/97/699276697.db2.gz YQDHHBAJXFYECY-QUBYGPBYSA-N 1 2 308.147 1.125 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1nnc[nH]1 ZINC000715812393 699277230 /nfs/dbraw/zinc/27/72/30/699277230.db2.gz KFQWMPPGIMRNIC-UHFFFAOYSA-N 1 2 315.146 1.744 20 10 DDCDLO CCOCCOC[C@@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000792196651 699682234 /nfs/dbraw/zinc/68/22/34/699682234.db2.gz QRCNLJDPJPUQTN-LBPRGKRZSA-N 1 2 303.786 1.549 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCn1cc[nH+]c1 ZINC000753635050 700447423 /nfs/dbraw/zinc/44/74/23/700447423.db2.gz BCBRXRLFLYCFHR-GFCCVEGCSA-N 1 2 303.362 1.822 20 10 DDCDLO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756709627 700637464 /nfs/dbraw/zinc/63/74/64/700637464.db2.gz XQJUBIZTHBWBEG-QMMMGPOBSA-N 1 2 308.350 1.260 20 10 DDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769316599 701240686 /nfs/dbraw/zinc/24/06/86/701240686.db2.gz JYPMUHXRTFCCKZ-UHFFFAOYSA-N 1 2 310.369 1.657 20 10 DDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769316599 701240688 /nfs/dbraw/zinc/24/06/88/701240688.db2.gz JYPMUHXRTFCCKZ-UHFFFAOYSA-N 1 2 310.369 1.657 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 ZINC000840938233 702286444 /nfs/dbraw/zinc/28/64/44/702286444.db2.gz ZUJLFNMYFDYFEK-LLVKDONJSA-N 1 2 309.753 1.090 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 ZINC000840938233 702286448 /nfs/dbraw/zinc/28/64/48/702286448.db2.gz ZUJLFNMYFDYFEK-LLVKDONJSA-N 1 2 309.753 1.090 20 10 DDCDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)n1 ZINC000818347211 702639191 /nfs/dbraw/zinc/63/91/91/702639191.db2.gz YLLJKVIOIQFKCF-JTQLQIEISA-N 1 2 318.377 1.949 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821807298 704813671 /nfs/dbraw/zinc/81/36/71/704813671.db2.gz PQRRZGXJHCYEQF-MVWJERBFSA-N 1 2 301.346 1.672 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821807298 704813675 /nfs/dbraw/zinc/81/36/75/704813675.db2.gz PQRRZGXJHCYEQF-MVWJERBFSA-N 1 2 301.346 1.672 20 10 DDCDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000864049872 706051226 /nfs/dbraw/zinc/05/12/26/706051226.db2.gz NITOZXJBRBDSEM-LLVKDONJSA-N 1 2 313.348 1.858 20 10 DDCDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000864049872 706051228 /nfs/dbraw/zinc/05/12/28/706051228.db2.gz NITOZXJBRBDSEM-LLVKDONJSA-N 1 2 313.348 1.858 20 10 DDCDLO CON(C)C(=O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877544625 706137773 /nfs/dbraw/zinc/13/77/73/706137773.db2.gz SJAOGONAOQWYBO-UHFFFAOYSA-N 1 2 314.332 1.902 20 10 DDCDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877574803 706146503 /nfs/dbraw/zinc/14/65/03/706146503.db2.gz VZSHUCCJNYENGE-NSHDSACASA-N 1 2 313.348 1.906 20 10 DDCDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877574803 706146505 /nfs/dbraw/zinc/14/65/05/706146505.db2.gz VZSHUCCJNYENGE-NSHDSACASA-N 1 2 313.348 1.906 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000837380663 707632840 /nfs/dbraw/zinc/63/28/40/707632840.db2.gz SWMUTYKEKKORSR-UHFFFAOYSA-N 1 2 301.394 1.528 20 10 DDCDLO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132115 707936207 /nfs/dbraw/zinc/93/62/07/707936207.db2.gz GPKRVNXTXWCPJN-CYBMUJFWSA-N 1 2 300.349 1.607 20 10 DDCDLO CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883193000 707951831 /nfs/dbraw/zinc/95/18/31/707951831.db2.gz MJBSNZDJOPGULT-LBPRGKRZSA-N 1 2 300.349 1.605 20 10 DDCDLO C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)C[NH+]1CCOCC1 ZINC000901122275 709934793 /nfs/dbraw/zinc/93/47/93/709934793.db2.gz NOMPPABKYAXHHZ-JLHYYAGUSA-N 1 2 320.389 1.035 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000892084799 710368758 /nfs/dbraw/zinc/36/87/58/710368758.db2.gz DDHXZUMJTFEKJQ-HJTOQOCKSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000892084799 710368760 /nfs/dbraw/zinc/36/87/60/710368760.db2.gz DDHXZUMJTFEKJQ-HJTOQOCKSA-N 1 2 313.419 1.751 20 10 DDCDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000923891193 714485426 /nfs/dbraw/zinc/48/54/26/714485426.db2.gz DSENNOVCOZTMBB-LBPRGKRZSA-N 1 2 307.346 1.697 20 10 DDCDLO CC(C)[N@H+]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000923891193 714485427 /nfs/dbraw/zinc/48/54/27/714485427.db2.gz DSENNOVCOZTMBB-LBPRGKRZSA-N 1 2 307.346 1.697 20 10 DDCDLO Oc1cc(O)c(CCNc2ccc3c([nH+]2)CCOC3)cc1O ZINC001168006425 740541891 /nfs/dbraw/zinc/54/18/91/740541891.db2.gz OFVQSTRIGXMIGU-UHFFFAOYSA-N 1 2 302.330 1.926 20 10 DDCDLO Oc1cc(O)c(CCNc2[nH+]cnc3[nH]cc(F)c32)cc1O ZINC001168009886 740584253 /nfs/dbraw/zinc/58/42/53/740584253.db2.gz LFDREOFPGDDHBO-UHFFFAOYSA-N 1 2 304.281 1.820 20 10 DDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129892 779616133 /nfs/dbraw/zinc/61/61/33/779616133.db2.gz LVSVQAMXKGHINN-RZIFZGNASA-N 1 2 317.433 1.603 20 10 DDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129892 779616140 /nfs/dbraw/zinc/61/61/40/779616140.db2.gz LVSVQAMXKGHINN-RZIFZGNASA-N 1 2 317.433 1.603 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935700 846715169 /nfs/dbraw/zinc/71/51/69/846715169.db2.gz XNFKNDVPRDEDRH-UONOGXRCSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935700 846715176 /nfs/dbraw/zinc/71/51/76/846715176.db2.gz XNFKNDVPRDEDRH-UONOGXRCSA-N 1 2 303.761 1.750 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001139683369 860451150 /nfs/dbraw/zinc/45/11/50/860451150.db2.gz HRLHUKXLVBVGAU-BETUJISGSA-N 1 2 324.371 1.965 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001139683369 860451153 /nfs/dbraw/zinc/45/11/53/860451153.db2.gz HRLHUKXLVBVGAU-BETUJISGSA-N 1 2 324.371 1.965 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(Cl)c1 ZINC001140925211 860733052 /nfs/dbraw/zinc/73/30/52/860733052.db2.gz PPKOOMMJWNTFNW-AWEZNQCLSA-N 1 2 323.824 1.449 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c(Cl)c1 ZINC001140925211 860733056 /nfs/dbraw/zinc/73/30/56/860733056.db2.gz PPKOOMMJWNTFNW-AWEZNQCLSA-N 1 2 323.824 1.449 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C)cc1O ZINC001140952004 860746033 /nfs/dbraw/zinc/74/60/33/860746033.db2.gz BFTMXXCLUQRMLO-AWEZNQCLSA-N 1 2 302.378 1.575 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140952004 860746036 /nfs/dbraw/zinc/74/60/36/860746036.db2.gz BFTMXXCLUQRMLO-AWEZNQCLSA-N 1 2 302.378 1.575 20 10 DDCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)CO ZINC001141368873 860833715 /nfs/dbraw/zinc/83/37/15/860833715.db2.gz FEGPHPAMECXYBQ-SECBINFHSA-N 1 2 324.602 1.593 20 10 DDCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)CO ZINC001141368873 860833725 /nfs/dbraw/zinc/83/37/25/860833725.db2.gz FEGPHPAMECXYBQ-SECBINFHSA-N 1 2 324.602 1.593 20 10 DDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001330213818 864163530 /nfs/dbraw/zinc/16/35/30/864163530.db2.gz GANJFZBHERKYGP-LBPRGKRZSA-N 1 2 305.378 1.138 20 10 DDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001330213818 864163538 /nfs/dbraw/zinc/16/35/38/864163538.db2.gz GANJFZBHERKYGP-LBPRGKRZSA-N 1 2 305.378 1.138 20 10 DDCDLO CC[N@H+](CCO)CCNCc1c(O)cccc1Br ZINC001331693412 865247841 /nfs/dbraw/zinc/24/78/41/865247841.db2.gz NIJLCFHRMPRNTM-UHFFFAOYSA-N 1 2 317.227 1.559 20 10 DDCDLO CC[N@@H+](CCO)CCNCc1c(O)cccc1Br ZINC001331693412 865247853 /nfs/dbraw/zinc/24/78/53/865247853.db2.gz NIJLCFHRMPRNTM-UHFFFAOYSA-N 1 2 317.227 1.559 20 10 DDCDLO Oc1ccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)cc1O ZINC001203880004 870816520 /nfs/dbraw/zinc/81/65/20/870816520.db2.gz LRKGBMAXYXRINS-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204272657 871033122 /nfs/dbraw/zinc/03/31/22/871033122.db2.gz FRIWWQFVEARIFX-GFCCVEGCSA-N 1 2 318.377 1.455 20 10 DDCDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204272657 871033142 /nfs/dbraw/zinc/03/31/42/871033142.db2.gz FRIWWQFVEARIFX-GFCCVEGCSA-N 1 2 318.377 1.455 20 10 DDCDLO CN1CCO[C@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276830191 880467602 /nfs/dbraw/zinc/46/76/02/880467602.db2.gz IJACRGRWUOEQIT-MRXNPFEDSA-N 1 2 308.378 1.100 20 10 DDCDLO CN1CCO[C@]2(CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276830191 880467609 /nfs/dbraw/zinc/46/76/09/880467609.db2.gz IJACRGRWUOEQIT-MRXNPFEDSA-N 1 2 308.378 1.100 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c(Cl)c1 ZINC001277550572 885801000 /nfs/dbraw/zinc/80/10/00/885801000.db2.gz CVKVJLPHZJRFRW-WCQYABFASA-N 1 2 322.796 1.078 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c(Cl)c1 ZINC001277550572 885801010 /nfs/dbraw/zinc/80/10/10/885801010.db2.gz CVKVJLPHZJRFRW-WCQYABFASA-N 1 2 322.796 1.078 20 10 DDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232257506 886189448 /nfs/dbraw/zinc/18/94/48/886189448.db2.gz GBXRMMAETJNDLX-UAKXVISKSA-N 1 2 313.781 1.723 20 10 DDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232257506 886189453 /nfs/dbraw/zinc/18/94/53/886189453.db2.gz GBXRMMAETJNDLX-UAKXVISKSA-N 1 2 313.781 1.723 20 10 DDCDLO COCCN1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237668192 889794701 /nfs/dbraw/zinc/79/47/01/889794701.db2.gz ALDPZZZPMZGZDM-UHFFFAOYSA-N 1 2 310.394 1.173 20 10 DDCDLO C[C@@]1(CO)CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808275 889864395 /nfs/dbraw/zinc/86/43/95/889864395.db2.gz SPLKJYXJMWGHCX-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnnn3C)CC2)c(C)c1 ZINC001238162052 890096085 /nfs/dbraw/zinc/09/60/85/890096085.db2.gz CYSOOJOQFPUGTK-UHFFFAOYSA-N 1 2 301.394 1.454 20 10 DDCDLO COC(=O)Cc1ccc(C[NH+]2CC(N3CCCCC3)C2)c(O)c1 ZINC001249207930 893869230 /nfs/dbraw/zinc/86/92/30/893869230.db2.gz MPHGPTXWIFSTQE-UHFFFAOYSA-N 1 2 318.417 1.778 20 10 DDCDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1O ZINC000106583276 194233009 /nfs/dbraw/zinc/23/30/09/194233009.db2.gz MTRKIWFLWSACCN-AWEZNQCLSA-N 1 2 320.437 1.170 20 10 DDCDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178591386 407502023 /nfs/dbraw/zinc/50/20/23/407502023.db2.gz SBKITRQVGAQIAC-CABCVRRESA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178591386 407502029 /nfs/dbraw/zinc/50/20/29/407502029.db2.gz SBKITRQVGAQIAC-CABCVRRESA-N 1 2 319.449 1.820 20 10 DDCDLO CC[C@@]1(C)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000135671823 408043836 /nfs/dbraw/zinc/04/38/36/408043836.db2.gz WYTWWWJZOWEGCN-SFHVURJKSA-N 1 2 319.449 1.870 20 10 DDCDLO CC[C@@]1(C)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000135671823 408043843 /nfs/dbraw/zinc/04/38/43/408043843.db2.gz WYTWWWJZOWEGCN-SFHVURJKSA-N 1 2 319.449 1.870 20 10 DDCDLO O=C(NCc1ccccc1O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269982039 408478398 /nfs/dbraw/zinc/47/83/98/408478398.db2.gz WJHQLWPBQKUGIR-CQSZACIVSA-N 1 2 312.373 1.865 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000276307825 408833155 /nfs/dbraw/zinc/83/31/55/408833155.db2.gz VIHVHBIEJAVXEU-GOEBONIOSA-N 1 2 323.389 1.679 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000276307825 408833159 /nfs/dbraw/zinc/83/31/59/408833159.db2.gz VIHVHBIEJAVXEU-GOEBONIOSA-N 1 2 323.389 1.679 20 10 DDCDLO O=C(NCc1ccccc1O)NCC1([NH+]2CCOCC2)CC1 ZINC000277396341 408932795 /nfs/dbraw/zinc/93/27/95/408932795.db2.gz JLEUVNUYVIYWTQ-UHFFFAOYSA-N 1 2 305.378 1.056 20 10 DDCDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(N(C)C)c(F)c3)C2)nn1 ZINC000359991928 410989439 /nfs/dbraw/zinc/98/94/39/410989439.db2.gz GDUPHCNFJBTXPN-NSHDSACASA-N 1 2 319.384 1.593 20 10 DDCDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179922852 522163703 /nfs/dbraw/zinc/16/37/03/522163703.db2.gz JAFZJKAWTYRAKC-CYBMUJFWSA-N 1 2 323.412 1.564 20 10 DDCDLO COC[C@H](O)CC[NH2+]Cc1cccc(Br)c1O ZINC000231608273 697786908 /nfs/dbraw/zinc/78/69/08/697786908.db2.gz UNUVMSWNWCRQFH-SNVBAGLBSA-N 1 2 304.184 1.642 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)cc1 ZINC000773754076 697801065 /nfs/dbraw/zinc/80/10/65/697801065.db2.gz KIGHYDMCZYIWHF-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)cc1 ZINC000773754076 697801067 /nfs/dbraw/zinc/80/10/67/697801067.db2.gz KIGHYDMCZYIWHF-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc(Cl)c1O ZINC000776173810 698076286 /nfs/dbraw/zinc/07/62/86/698076286.db2.gz NQUJNCDWDXVSCR-UHFFFAOYSA-N 1 2 318.826 1.561 20 10 DDCDLO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000777220814 698174327 /nfs/dbraw/zinc/17/43/27/698174327.db2.gz UXEQEWDAPRMJOB-KGLIPLIRSA-N 1 2 315.797 1.956 20 10 DDCDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC000708156278 699248959 /nfs/dbraw/zinc/24/89/59/699248959.db2.gz HWCPMZMPRLDRPO-NXEZZACHSA-N 1 2 322.586 1.657 20 10 DDCDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000725855709 699336539 /nfs/dbraw/zinc/33/65/39/699336539.db2.gz CMXPMNXBOAWWBP-AWEZNQCLSA-N 1 2 320.437 1.273 20 10 DDCDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000725855709 699336542 /nfs/dbraw/zinc/33/65/42/699336542.db2.gz CMXPMNXBOAWWBP-AWEZNQCLSA-N 1 2 320.437 1.273 20 10 DDCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ncnn1C ZINC000788972359 699352291 /nfs/dbraw/zinc/35/22/91/699352291.db2.gz YZEUPEOJBABTKB-GFCCVEGCSA-N 1 2 319.384 1.642 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC(F)F)[C@H](O)CO2 ZINC000795729557 699887098 /nfs/dbraw/zinc/88/70/98/699887098.db2.gz OREIESCTHSZACH-ZWNOBZJWSA-N 1 2 315.316 1.674 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1CC(F)F)[C@H](O)CO2 ZINC000795729557 699887100 /nfs/dbraw/zinc/88/71/00/699887100.db2.gz OREIESCTHSZACH-ZWNOBZJWSA-N 1 2 315.316 1.674 20 10 DDCDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1=CC(=O)CS1 ZINC000752630191 700376283 /nfs/dbraw/zinc/37/62/83/700376283.db2.gz KETCVMRZUQQMBC-UHFFFAOYSA-N 1 2 312.435 1.884 20 10 DDCDLO C[N@@H+]1CCO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839963 701488024 /nfs/dbraw/zinc/48/80/24/701488024.db2.gz NYPQJPASGIBPCO-NSHDSACASA-N 1 2 319.188 1.646 20 10 DDCDLO C[N@H+]1CCO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839963 701488026 /nfs/dbraw/zinc/48/80/26/701488026.db2.gz NYPQJPASGIBPCO-NSHDSACASA-N 1 2 319.188 1.646 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)C[C@H](C)S(C)(=O)=O)cc1 ZINC000844401422 703026404 /nfs/dbraw/zinc/02/64/04/703026404.db2.gz LBZFZKYIPKAXAD-ZDUSSCGKSA-N 1 2 314.451 1.496 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)C[C@H](C)S(C)(=O)=O)cc1 ZINC000844401422 703026407 /nfs/dbraw/zinc/02/64/07/703026407.db2.gz LBZFZKYIPKAXAD-ZDUSSCGKSA-N 1 2 314.451 1.496 20 10 DDCDLO CCc1cccc(C[N@@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1O ZINC000848887125 703598475 /nfs/dbraw/zinc/59/84/75/703598475.db2.gz OBRKRPVCEYROFO-UHFFFAOYSA-N 1 2 314.389 1.537 20 10 DDCDLO CCc1cccc(C[N@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1O ZINC000848887125 703598477 /nfs/dbraw/zinc/59/84/77/703598477.db2.gz OBRKRPVCEYROFO-UHFFFAOYSA-N 1 2 314.389 1.537 20 10 DDCDLO C[C@H](O)C(=O)N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028026 707158721 /nfs/dbraw/zinc/15/87/21/707158721.db2.gz IHDHCSQGNPIJOU-RGDDUWESSA-N 1 2 317.433 1.291 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1F ZINC000862535339 705728091 /nfs/dbraw/zinc/72/80/91/705728091.db2.gz JVHAJQHQCRHHRT-AWEZNQCLSA-N 1 2 323.412 1.748 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1F ZINC000862535339 705728093 /nfs/dbraw/zinc/72/80/93/705728093.db2.gz JVHAJQHQCRHHRT-AWEZNQCLSA-N 1 2 323.412 1.748 20 10 DDCDLO Oc1c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)ccc(F)c1F ZINC000876541436 705751201 /nfs/dbraw/zinc/75/12/01/705751201.db2.gz BYPNDQZSQZSAFK-ZDUSSCGKSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc(F)c1F ZINC000876785352 705876360 /nfs/dbraw/zinc/87/63/60/705876360.db2.gz VUGCJLSXPHKWNO-GFCCVEGCSA-N 1 2 312.360 1.825 20 10 DDCDLO Cn1nccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000897558213 708373790 /nfs/dbraw/zinc/37/37/90/708373790.db2.gz FZQVIZRTABTPHS-INIZCTEOSA-N 1 2 317.345 1.428 20 10 DDCDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000897558213 708373792 /nfs/dbraw/zinc/37/37/92/708373792.db2.gz FZQVIZRTABTPHS-INIZCTEOSA-N 1 2 317.345 1.428 20 10 DDCDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894468244 711137730 /nfs/dbraw/zinc/13/77/30/711137730.db2.gz RROXKYOMDNSNCM-LBPRGKRZSA-N 1 2 311.332 1.706 20 10 DDCDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894468244 711137732 /nfs/dbraw/zinc/13/77/32/711137732.db2.gz RROXKYOMDNSNCM-LBPRGKRZSA-N 1 2 311.332 1.706 20 10 DDCDLO COc1ccc(C[N@@H+]2CCc3ncncc3C2)c(O)c1OC ZINC000896038541 711666851 /nfs/dbraw/zinc/66/68/51/711666851.db2.gz RAXHPTONBPRYQU-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1ccc(C[N@H+]2CCc3ncncc3C2)c(O)c1OC ZINC000896038541 711666853 /nfs/dbraw/zinc/66/68/53/711666853.db2.gz RAXHPTONBPRYQU-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COC(=O)Cc1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168010314 740588029 /nfs/dbraw/zinc/58/80/29/740588029.db2.gz NIOQMDDDNLIESV-UHFFFAOYSA-N 1 2 318.329 1.569 20 10 DDCDLO Oc1cnc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)nc1 ZINC001142530329 742147915 /nfs/dbraw/zinc/14/79/15/742147915.db2.gz DOHWMRWOKRFWIX-UHFFFAOYSA-N 1 2 322.315 1.488 20 10 DDCDLO COc1ncc(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)n1 ZINC001139234054 860331804 /nfs/dbraw/zinc/33/18/04/860331804.db2.gz GDOUVRQHGKYOPO-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1ncc(C[N@H+]2CCc3cccc(O)c3C2)c(OC)n1 ZINC001139234054 860331812 /nfs/dbraw/zinc/33/18/12/860331812.db2.gz GDOUVRQHGKYOPO-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335724110 868498486 /nfs/dbraw/zinc/49/84/86/868498486.db2.gz GTNRIJIBNMRXHB-XJKSGUPXSA-N 1 2 318.421 1.273 20 10 DDCDLO COC(=O)N1CCC[N@H+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204342422 871064751 /nfs/dbraw/zinc/06/47/51/871064751.db2.gz LXDATCVUKGJABM-UHFFFAOYSA-N 1 2 310.350 1.381 20 10 DDCDLO COC(=O)N1CCC[N@@H+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204342422 871064770 /nfs/dbraw/zinc/06/47/70/871064770.db2.gz LXDATCVUKGJABM-UHFFFAOYSA-N 1 2 310.350 1.381 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336714 886930939 /nfs/dbraw/zinc/93/09/39/886930939.db2.gz WTZDRCBNIQZWQG-VIFPVBQESA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336714 886930954 /nfs/dbraw/zinc/93/09/54/886930954.db2.gz WTZDRCBNIQZWQG-VIFPVBQESA-N 1 2 301.289 1.434 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000273390291 130116163 /nfs/dbraw/zinc/11/61/63/130116163.db2.gz KLLXHHUFCOOEPS-SECBINFHSA-N 1 2 303.322 1.689 20 10 DDCDLO CCOc1cccc(C[N@H+](C)CCS(=O)(=O)CC)c1O ZINC000093643362 407201209 /nfs/dbraw/zinc/20/12/09/407201209.db2.gz XYVXBKFCVIOWSD-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CCOc1cccc(C[N@@H+](C)CCS(=O)(=O)CC)c1O ZINC000093643362 407201212 /nfs/dbraw/zinc/20/12/12/407201212.db2.gz XYVXBKFCVIOWSD-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271855491 407735724 /nfs/dbraw/zinc/73/57/24/407735724.db2.gz XJYZIYZUACTOPU-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271855491 407735731 /nfs/dbraw/zinc/73/57/31/407735731.db2.gz XJYZIYZUACTOPU-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCNC(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000368137289 418695325 /nfs/dbraw/zinc/69/53/25/418695325.db2.gz ZCKYBQZEQCYRFT-SECBINFHSA-N 1 2 309.322 1.019 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCNC(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000368137289 418695327 /nfs/dbraw/zinc/69/53/27/418695327.db2.gz ZCKYBQZEQCYRFT-SECBINFHSA-N 1 2 309.322 1.019 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373732382 534142969 /nfs/dbraw/zinc/14/29/69/534142969.db2.gz FDIWOTUEZLMOBM-DGCLKSJQSA-N 1 2 315.373 1.604 20 10 DDCDLO COc1cccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1O ZINC000266321799 525988926 /nfs/dbraw/zinc/98/89/26/525988926.db2.gz SGXNGRJNFQMUNL-NSHDSACASA-N 1 2 304.350 1.485 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1F ZINC000292168247 698576310 /nfs/dbraw/zinc/57/63/10/698576310.db2.gz ZVFHCVTXTVLLPA-UHFFFAOYSA-N 1 2 305.357 1.625 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000734063791 699635832 /nfs/dbraw/zinc/63/58/32/699635832.db2.gz NONSBNAVGKBJJO-NSHDSACASA-N 1 2 304.350 1.485 20 10 DDCDLO COCCN1CC[N@H+](Cc2ccc3ccccc3c2O)CC1=O ZINC000816565481 702114232 /nfs/dbraw/zinc/11/42/32/702114232.db2.gz QGDRWNTUOURNGR-UHFFFAOYSA-N 1 2 314.385 1.836 20 10 DDCDLO COCCN1CC[N@@H+](Cc2ccc3ccccc3c2O)CC1=O ZINC000816565481 702114234 /nfs/dbraw/zinc/11/42/34/702114234.db2.gz QGDRWNTUOURNGR-UHFFFAOYSA-N 1 2 314.385 1.836 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875301246 705345011 /nfs/dbraw/zinc/34/50/11/705345011.db2.gz PNYQSDKXHJYJOF-CQSZACIVSA-N 1 2 313.405 1.682 20 10 DDCDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)cccc1Br ZINC000862402446 705710687 /nfs/dbraw/zinc/71/06/87/705710687.db2.gz HKWWKDORJPZMFP-IRWWLHRVSA-N 1 2 316.220 1.860 20 10 DDCDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)cccc1Br ZINC000862402446 705710690 /nfs/dbraw/zinc/71/06/90/705710690.db2.gz HKWWKDORJPZMFP-IRWWLHRVSA-N 1 2 316.220 1.860 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865904744 706558864 /nfs/dbraw/zinc/55/88/64/706558864.db2.gz RQTLHZHRPUTUOL-PLNGDYQASA-N 1 2 317.433 1.566 20 10 DDCDLO Cc1nc(CN2CC[NH+](Cc3c(C)cccc3O)CC2)n[nH]1 ZINC000895263840 711470382 /nfs/dbraw/zinc/47/03/82/711470382.db2.gz ZQKLZCUQXFQJSC-UHFFFAOYSA-N 1 2 301.394 1.445 20 10 DDCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2O)CC1=O ZINC001203556623 751329455 /nfs/dbraw/zinc/32/94/55/751329455.db2.gz VKDZAHOIOQMIFU-UHFFFAOYSA-N 1 2 306.362 1.972 20 10 DDCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2O)CC1=O ZINC001203556623 751329460 /nfs/dbraw/zinc/32/94/60/751329460.db2.gz VKDZAHOIOQMIFU-UHFFFAOYSA-N 1 2 306.362 1.972 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141032364 860768072 /nfs/dbraw/zinc/76/80/72/860768072.db2.gz ZNMRGGNOWXTCAT-HNNXBMFYSA-N 1 2 313.325 1.496 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141032364 860768074 /nfs/dbraw/zinc/76/80/74/860768074.db2.gz ZNMRGGNOWXTCAT-HNNXBMFYSA-N 1 2 313.325 1.496 20 10 DDCDLO O=C(NCCc1cc(O)c(O)cc1O)c1cc2c[nH+]ccc2[nH]1 ZINC001151975822 863089642 /nfs/dbraw/zinc/08/96/42/863089642.db2.gz GMQCRDZQURNOQV-UHFFFAOYSA-N 1 2 313.313 1.652 20 10 DDCDLO CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001332477284 865868024 /nfs/dbraw/zinc/86/80/24/865868024.db2.gz RSGLQFJWFFDVCM-CWDCEQMOSA-N 1 2 314.389 1.774 20 10 DDCDLO Oc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c(O)c1 ZINC001204276040 871035244 /nfs/dbraw/zinc/03/52/44/871035244.db2.gz DZWUDHGGYSABKC-RYUDHWBXSA-N 1 2 309.259 1.935 20 10 DDCDLO Oc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c(O)c1 ZINC001204276040 871035266 /nfs/dbraw/zinc/03/52/66/871035266.db2.gz DZWUDHGGYSABKC-RYUDHWBXSA-N 1 2 309.259 1.935 20 10 DDCDLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(N)cc1 ZINC001340846793 871385481 /nfs/dbraw/zinc/38/54/81/871385481.db2.gz GLWMBCXICUOGCP-CVEARBPZSA-N 1 2 319.405 1.111 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(N)cc1 ZINC001262584810 900262198 /nfs/dbraw/zinc/26/21/98/900262198.db2.gz MCJXBEBROLIVFY-MRXNPFEDSA-N 1 2 320.437 1.221 20 10 DDCDLO COCCc1noc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000103554753 407341817 /nfs/dbraw/zinc/34/18/17/407341817.db2.gz BNOYMLJSTWLXHH-UHFFFAOYSA-N 1 2 304.394 1.957 20 10 DDCDLO COCCc1noc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000103554753 407341819 /nfs/dbraw/zinc/34/18/19/407341819.db2.gz BNOYMLJSTWLXHH-UHFFFAOYSA-N 1 2 304.394 1.957 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000273465216 408211125 /nfs/dbraw/zinc/21/11/25/408211125.db2.gz DPHHOWBPLRRAEA-UWVGGRQHSA-N 1 2 304.350 1.719 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1O ZINC000184702914 408671456 /nfs/dbraw/zinc/67/14/56/408671456.db2.gz NSRDXYAKGKMATB-PELKAZGASA-N 1 2 314.769 1.129 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1O ZINC000184702914 408671460 /nfs/dbraw/zinc/67/14/60/408671460.db2.gz NSRDXYAKGKMATB-PELKAZGASA-N 1 2 314.769 1.129 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278261385 409077752 /nfs/dbraw/zinc/07/77/52/409077752.db2.gz QOUPMQRMZWRSOE-GFCCVEGCSA-N 1 2 323.349 1.265 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCNC(=O)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278261385 409077755 /nfs/dbraw/zinc/07/77/55/409077755.db2.gz QOUPMQRMZWRSOE-GFCCVEGCSA-N 1 2 323.349 1.265 20 10 DDCDLO Cn1cc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]2CO)cn1 ZINC000278691988 409086198 /nfs/dbraw/zinc/08/61/98/409086198.db2.gz MVFWQRLFVUZMDY-KBPBESRZSA-N 1 2 321.808 1.987 20 10 DDCDLO Cn1cc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2CO)cn1 ZINC000278691988 409086201 /nfs/dbraw/zinc/08/62/01/409086201.db2.gz MVFWQRLFVUZMDY-KBPBESRZSA-N 1 2 321.808 1.987 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2ccco2)CC1 ZINC000280057119 409254684 /nfs/dbraw/zinc/25/46/84/409254684.db2.gz LBLZCTLZDYFFFO-UHFFFAOYSA-N 1 2 302.330 1.649 20 10 DDCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000294771169 409302921 /nfs/dbraw/zinc/30/29/21/409302921.db2.gz AXDJFZNCIQSNQR-VIFPVBQESA-N 1 2 307.774 1.804 20 10 DDCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000294771169 409302925 /nfs/dbraw/zinc/30/29/25/409302925.db2.gz AXDJFZNCIQSNQR-VIFPVBQESA-N 1 2 307.774 1.804 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000377706098 418714184 /nfs/dbraw/zinc/71/41/84/418714184.db2.gz TVESTIZGUJQXEY-HIFRSBDPSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000377706098 418714186 /nfs/dbraw/zinc/71/41/86/418714186.db2.gz TVESTIZGUJQXEY-HIFRSBDPSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804502 418725751 /nfs/dbraw/zinc/72/57/51/418725751.db2.gz DWMMCXUJCGVFRC-ZUZCIYMTSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804502 418725753 /nfs/dbraw/zinc/72/57/53/418725753.db2.gz DWMMCXUJCGVFRC-ZUZCIYMTSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804502 418725755 /nfs/dbraw/zinc/72/57/55/418725755.db2.gz DWMMCXUJCGVFRC-ZUZCIYMTSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804502 418725757 /nfs/dbraw/zinc/72/57/57/418725757.db2.gz DWMMCXUJCGVFRC-ZUZCIYMTSA-N 1 2 318.377 1.962 20 10 DDCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761495 418899802 /nfs/dbraw/zinc/89/98/02/418899802.db2.gz ZHXCRSSWMJWLPX-STQMWFEESA-N 1 2 319.357 1.691 20 10 DDCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761495 418899804 /nfs/dbraw/zinc/89/98/04/418899804.db2.gz ZHXCRSSWMJWLPX-STQMWFEESA-N 1 2 319.357 1.691 20 10 DDCDLO Cc1[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000264775031 526650279 /nfs/dbraw/zinc/65/02/79/526650279.db2.gz VXQLULOYQRSFFA-UHFFFAOYSA-N 1 2 300.362 1.485 20 10 DDCDLO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000795826962 699894734 /nfs/dbraw/zinc/89/47/34/699894734.db2.gz DFGQSHGZTYMXIX-AXFHLTTASA-N 1 2 301.333 1.966 20 10 DDCDLO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(F)cc(F)c1O ZINC000757639703 700667376 /nfs/dbraw/zinc/66/73/76/700667376.db2.gz SCDUDNWYJDUGME-MRVPVSSYSA-N 1 2 310.304 1.474 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768445659 701177635 /nfs/dbraw/zinc/17/76/35/701177635.db2.gz SNSNGDXQYDPSAN-CQSZACIVSA-N 1 2 307.346 1.346 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768445659 701177636 /nfs/dbraw/zinc/17/76/36/701177636.db2.gz SNSNGDXQYDPSAN-CQSZACIVSA-N 1 2 307.346 1.346 20 10 DDCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467791 701246131 /nfs/dbraw/zinc/24/61/31/701246131.db2.gz YOAAGUOAYZZOTF-DOQJBMMISA-N 1 2 322.474 1.865 20 10 DDCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467791 701246132 /nfs/dbraw/zinc/24/61/32/701246132.db2.gz YOAAGUOAYZZOTF-DOQJBMMISA-N 1 2 322.474 1.865 20 10 DDCDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816521568 702105846 /nfs/dbraw/zinc/10/58/46/702105846.db2.gz SHVSXXARYAQISG-VIFPVBQESA-N 1 2 322.789 1.308 20 10 DDCDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816521568 702105851 /nfs/dbraw/zinc/10/58/51/702105851.db2.gz SHVSXXARYAQISG-VIFPVBQESA-N 1 2 322.789 1.308 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000846448021 703277331 /nfs/dbraw/zinc/27/73/31/703277331.db2.gz WJDJOQUVYZWLQI-UHFFFAOYSA-N 1 2 302.378 1.487 20 10 DDCDLO Cn1nccc1C([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1C ZINC000858321553 704694667 /nfs/dbraw/zinc/69/46/67/704694667.db2.gz JDPTWEBGSPWHGX-UHFFFAOYSA-N 1 2 323.400 1.968 20 10 DDCDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825935237 705748572 /nfs/dbraw/zinc/74/85/72/705748572.db2.gz PTXWGXCUHPDAOF-SECBINFHSA-N 1 2 313.195 1.865 20 10 DDCDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825935237 705748575 /nfs/dbraw/zinc/74/85/75/705748575.db2.gz PTXWGXCUHPDAOF-SECBINFHSA-N 1 2 313.195 1.865 20 10 DDCDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826967174 705901969 /nfs/dbraw/zinc/90/19/69/705901969.db2.gz GOJCMDRUUDLLIQ-CMPLNLGQSA-N 1 2 303.717 1.605 20 10 DDCDLO OCc1cn([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894859830 711299359 /nfs/dbraw/zinc/29/93/59/711299359.db2.gz MHZGVRJKMTUXKX-CYBMUJFWSA-N 1 2 324.331 1.591 20 10 DDCDLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894859830 711299361 /nfs/dbraw/zinc/29/93/61/711299361.db2.gz MHZGVRJKMTUXKX-CYBMUJFWSA-N 1 2 324.331 1.591 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)C[C@H]1O ZINC001144298989 772471871 /nfs/dbraw/zinc/47/18/71/772471871.db2.gz NZBOKCMXUGMAID-QPUJVOFHSA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)C[C@H]1O ZINC001144298989 772471873 /nfs/dbraw/zinc/47/18/73/772471873.db2.gz NZBOKCMXUGMAID-QPUJVOFHSA-N 1 2 320.158 1.079 20 10 DDCDLO Cc1cc(N2CC[NH+](Cc3cccc(F)c3O)CC2)ncn1 ZINC001138130810 860012246 /nfs/dbraw/zinc/01/22/46/860012246.db2.gz IHULTIRPUCAXGE-UHFFFAOYSA-N 1 2 302.353 1.952 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(=O)N(C)CC1 ZINC001139129230 860298363 /nfs/dbraw/zinc/29/83/63/860298363.db2.gz RDOVNDKQOVHEFP-UHFFFAOYSA-N 1 2 316.357 1.471 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(=O)N(C)CC1 ZINC001139129230 860298370 /nfs/dbraw/zinc/29/83/70/860298370.db2.gz RDOVNDKQOVHEFP-UHFFFAOYSA-N 1 2 316.357 1.471 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001139683799 860451422 /nfs/dbraw/zinc/45/14/22/860451422.db2.gz LZCQDTHRBZWFFI-GFCCVEGCSA-N 1 2 312.360 1.967 20 10 DDCDLO C[NH+](C)Cc1nc(CNC(=O)Cc2ccc(O)c(O)c2)co1 ZINC001157168065 863628730 /nfs/dbraw/zinc/62/87/30/863628730.db2.gz HKFJJUIUDMUUQI-UHFFFAOYSA-N 1 2 305.334 1.006 20 10 DDCDLO Nc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC001335285577 868203687 /nfs/dbraw/zinc/20/36/87/868203687.db2.gz PWOJKHZZDWGWDD-UHFFFAOYSA-N 1 2 311.385 1.932 20 10 DDCDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879327 870815652 /nfs/dbraw/zinc/81/56/52/870815652.db2.gz OFYMMLLTWXPLNT-CYBMUJFWSA-N 1 2 303.362 1.573 20 10 DDCDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879327 870815662 /nfs/dbraw/zinc/81/56/62/870815662.db2.gz OFYMMLLTWXPLNT-CYBMUJFWSA-N 1 2 303.362 1.573 20 10 DDCDLO COCCN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276913812 881065939 /nfs/dbraw/zinc/06/59/39/881065939.db2.gz KEOICGCYHXVELX-SUMWQHHRSA-N 1 2 320.389 1.167 20 10 DDCDLO COCCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276913812 881065949 /nfs/dbraw/zinc/06/59/49/881065949.db2.gz KEOICGCYHXVELX-SUMWQHHRSA-N 1 2 320.389 1.167 20 10 DDCDLO Oc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(O)c1O ZINC001233013810 886724329 /nfs/dbraw/zinc/72/43/29/886724329.db2.gz USACWCKNNJZBIR-UHFFFAOYSA-N 1 2 304.346 1.714 20 10 DDCDLO COc1cc(Cl)cc(C[NH+]2CC(N3CCOCC3)C2)c1O ZINC001233289583 886900520 /nfs/dbraw/zinc/90/05/20/886900520.db2.gz AOZNKRMNPIIULM-UHFFFAOYSA-N 1 2 312.797 1.571 20 10 DDCDLO Cn1ccc(-c2ccc(OCC[NH+]3CCOCC3)nc2)cc1=O ZINC001240997609 891112882 /nfs/dbraw/zinc/11/28/82/891112882.db2.gz CVUUXIQEJYJFHZ-UHFFFAOYSA-N 1 2 315.373 1.158 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC(=O)N1 ZINC001249223808 893878159 /nfs/dbraw/zinc/87/81/59/893878159.db2.gz NCAJFBPAXCQLIJ-NSHDSACASA-N 1 2 302.374 1.897 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC(=O)N1 ZINC001249223808 893878182 /nfs/dbraw/zinc/87/81/82/893878182.db2.gz NCAJFBPAXCQLIJ-NSHDSACASA-N 1 2 302.374 1.897 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000278505812 539280603 /nfs/dbraw/zinc/28/06/03/539280603.db2.gz OWQZKZPSQLTXKG-OAHLLOKOSA-N 1 2 324.333 1.300 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000278505812 539280604 /nfs/dbraw/zinc/28/06/04/539280604.db2.gz OWQZKZPSQLTXKG-OAHLLOKOSA-N 1 2 324.333 1.300 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000278505806 539280631 /nfs/dbraw/zinc/28/06/31/539280631.db2.gz OWQZKZPSQLTXKG-HNNXBMFYSA-N 1 2 324.333 1.300 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000278505806 539280633 /nfs/dbraw/zinc/28/06/33/539280633.db2.gz OWQZKZPSQLTXKG-HNNXBMFYSA-N 1 2 324.333 1.300 20 10 DDCDLO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273561401 130137234 /nfs/dbraw/zinc/13/72/34/130137234.db2.gz IHDDFYVVRHNQSY-OTYXRUKQSA-N 1 2 306.322 1.418 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000038386499 407000286 /nfs/dbraw/zinc/00/02/86/407000286.db2.gz RYFYUZDAGXECSL-OKILXGFUSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000038386499 407000288 /nfs/dbraw/zinc/00/02/88/407000288.db2.gz RYFYUZDAGXECSL-OKILXGFUSA-N 1 2 305.422 1.478 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1F ZINC000084963960 407096307 /nfs/dbraw/zinc/09/63/07/407096307.db2.gz GLLISCCNDQPSEX-UHFFFAOYSA-N 1 2 321.396 1.579 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](CCO)CC2)c1O ZINC000050132180 407129162 /nfs/dbraw/zinc/12/91/62/407129162.db2.gz ZXOZMLAFIMJZDU-UHFFFAOYSA-N 1 2 312.797 1.358 20 10 DDCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000093707003 407200558 /nfs/dbraw/zinc/20/05/58/407200558.db2.gz NKZRQRJRULVJNT-OAHLLOKOSA-N 1 2 319.449 1.558 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000187150347 407824537 /nfs/dbraw/zinc/82/45/37/407824537.db2.gz DZEYHAYEJXCZDS-ZDUSSCGKSA-N 1 2 320.389 1.425 20 10 DDCDLO CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(Cl)c1O ZINC000290193529 286908269 /nfs/dbraw/zinc/90/82/69/286908269.db2.gz ONLSWAHBOZTGCC-GFCCVEGCSA-N 1 2 320.842 1.978 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C2CC2)C2COC2)cc1 ZINC000295484936 409502179 /nfs/dbraw/zinc/50/21/79/409502179.db2.gz RPIBAQQVEDAMBK-UHFFFAOYSA-N 1 2 317.433 1.574 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C2CC2)C2COC2)cc1 ZINC000295484936 409502182 /nfs/dbraw/zinc/50/21/82/409502182.db2.gz RPIBAQQVEDAMBK-UHFFFAOYSA-N 1 2 317.433 1.574 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804444 418725873 /nfs/dbraw/zinc/72/58/73/418725873.db2.gz DWMMCXUJCGVFRC-BMIGLBTASA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804444 418725874 /nfs/dbraw/zinc/72/58/74/418725874.db2.gz DWMMCXUJCGVFRC-BMIGLBTASA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804444 418725876 /nfs/dbraw/zinc/72/58/76/418725876.db2.gz DWMMCXUJCGVFRC-BMIGLBTASA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804444 418725877 /nfs/dbraw/zinc/72/58/77/418725877.db2.gz DWMMCXUJCGVFRC-BMIGLBTASA-N 1 2 318.377 1.962 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529644078 421548989 /nfs/dbraw/zinc/54/89/89/421548989.db2.gz RGBIALKKPXPDGZ-LLVKDONJSA-N 1 2 313.785 1.175 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529644078 421548992 /nfs/dbraw/zinc/54/89/92/421548992.db2.gz RGBIALKKPXPDGZ-LLVKDONJSA-N 1 2 313.785 1.175 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCOC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000281655112 274090225 /nfs/dbraw/zinc/09/02/25/274090225.db2.gz BVVYBBIPMWQFFK-HNNXBMFYSA-N 1 2 324.333 1.300 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCOC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000281655112 274090227 /nfs/dbraw/zinc/09/02/27/274090227.db2.gz BVVYBBIPMWQFFK-HNNXBMFYSA-N 1 2 324.333 1.300 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000238133635 527369634 /nfs/dbraw/zinc/36/96/34/527369634.db2.gz VDFOZHXNWPTYCL-HNNXBMFYSA-N 1 2 302.330 1.994 20 10 DDCDLO CS(=O)(=O)CCC[NH2+]Cc1cccc(Br)c1O ZINC000042412568 696148978 /nfs/dbraw/zinc/14/89/78/696148978.db2.gz XNCJVMCHVVXGCA-UHFFFAOYSA-N 1 2 322.224 1.679 20 10 DDCDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774836002 697933486 /nfs/dbraw/zinc/93/34/86/697933486.db2.gz OJNODTFHNPXRFC-UHFFFAOYSA-N 1 2 311.338 1.219 20 10 DDCDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774836002 697933491 /nfs/dbraw/zinc/93/34/91/697933491.db2.gz OJNODTFHNPXRFC-UHFFFAOYSA-N 1 2 311.338 1.219 20 10 DDCDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774875531 697936959 /nfs/dbraw/zinc/93/69/59/697936959.db2.gz KHLUPIVGQGDHOG-UHFFFAOYSA-N 1 2 312.322 1.692 20 10 DDCDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774875531 697936962 /nfs/dbraw/zinc/93/69/62/697936962.db2.gz KHLUPIVGQGDHOG-UHFFFAOYSA-N 1 2 312.322 1.692 20 10 DDCDLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(N2CCOCC2)cc1 ZINC000775259513 697977078 /nfs/dbraw/zinc/97/70/78/697977078.db2.gz VWQXUAQZNUJAPG-ZDUSSCGKSA-N 1 2 313.405 1.746 20 10 DDCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)N(C)C ZINC000715747389 699276855 /nfs/dbraw/zinc/27/68/55/699276855.db2.gz ZOHXIZLFLPJJRS-ZETCQYMHSA-N 1 2 319.174 1.860 20 10 DDCDLO Oc1ccc(CCNc2cc(N3CCOCC3)nc[nH+]2)cc1O ZINC000811810808 702066203 /nfs/dbraw/zinc/06/62/03/702066203.db2.gz DCGHTZOJRDWBBB-UHFFFAOYSA-N 1 2 316.361 1.379 20 10 DDCDLO Oc1ccc(CCNc2cc(N3CCOCC3)[nH+]cn2)cc1O ZINC000811810808 702066211 /nfs/dbraw/zinc/06/62/11/702066211.db2.gz DCGHTZOJRDWBBB-UHFFFAOYSA-N 1 2 316.361 1.379 20 10 DDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1[O-] ZINC000841098511 702344755 /nfs/dbraw/zinc/34/47/55/702344755.db2.gz HGTWUGKSYKIWIV-JTQLQIEISA-N 1 2 301.730 1.032 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000844133862 702976055 /nfs/dbraw/zinc/97/60/55/702976055.db2.gz BTGNKEDXKHPWEE-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000825017613 705578262 /nfs/dbraw/zinc/57/82/62/705578262.db2.gz VZTFLCKRDISYCT-UHFFFAOYSA-N 1 2 301.346 1.769 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000825017613 705578267 /nfs/dbraw/zinc/57/82/67/705578267.db2.gz VZTFLCKRDISYCT-UHFFFAOYSA-N 1 2 301.346 1.769 20 10 DDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)[C@@H](C)C[N@@H+]1CCO ZINC000877593034 706152803 /nfs/dbraw/zinc/15/28/03/706152803.db2.gz MZSGSGWQRLHKRV-MNOVXSKESA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)[C@@H](C)C[N@H+]1CCO ZINC000877593034 706152805 /nfs/dbraw/zinc/15/28/05/706152805.db2.gz MZSGSGWQRLHKRV-MNOVXSKESA-N 1 2 300.349 1.557 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)c1O ZINC000877793376 706217219 /nfs/dbraw/zinc/21/72/19/706217219.db2.gz WTIIPMACVNVJSS-OAQYLSRUSA-N 1 2 313.423 1.500 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c1O ZINC000880528192 707005229 /nfs/dbraw/zinc/00/52/29/707005229.db2.gz ZANSGUNCMAUFRU-NHYWBVRUSA-N 1 2 320.364 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c1O ZINC000880528192 707005232 /nfs/dbraw/zinc/00/52/32/707005232.db2.gz ZANSGUNCMAUFRU-NHYWBVRUSA-N 1 2 320.364 1.834 20 10 DDCDLO O=C1NCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000839195593 708035152 /nfs/dbraw/zinc/03/51/52/708035152.db2.gz LGKVGSXCOXYRNO-SNVBAGLBSA-N 1 2 313.195 1.771 20 10 DDCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000898214620 708575410 /nfs/dbraw/zinc/57/54/10/708575410.db2.gz FZQLXRKEDOFXAC-GXSJLCMTSA-N 1 2 303.811 1.958 20 10 DDCDLO COc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c(O)c1OC ZINC000892040247 710358631 /nfs/dbraw/zinc/35/86/31/710358631.db2.gz ZEEISVOBIFOEIL-SNVBAGLBSA-N 1 2 317.407 1.274 20 10 DDCDLO COc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c(O)c1OC ZINC000892040247 710358633 /nfs/dbraw/zinc/35/86/33/710358633.db2.gz ZEEISVOBIFOEIL-SNVBAGLBSA-N 1 2 317.407 1.274 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1OC ZINC000892084797 710368875 /nfs/dbraw/zinc/36/88/75/710368875.db2.gz DDHXZUMJTFEKJQ-BJFPOWJFSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1OC ZINC000892084797 710368877 /nfs/dbraw/zinc/36/88/77/710368877.db2.gz DDHXZUMJTFEKJQ-BJFPOWJFSA-N 1 2 313.419 1.751 20 10 DDCDLO COC(=O)C[N@H+](Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000894073819 710951934 /nfs/dbraw/zinc/95/19/34/710951934.db2.gz YVUAREHNEDCYEE-UHFFFAOYSA-N 1 2 315.316 1.824 20 10 DDCDLO COC(=O)C[N@@H+](Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000894073819 710951939 /nfs/dbraw/zinc/95/19/39/710951939.db2.gz YVUAREHNEDCYEE-UHFFFAOYSA-N 1 2 315.316 1.824 20 10 DDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000929153222 713557711 /nfs/dbraw/zinc/55/77/11/713557711.db2.gz TYBFYYDEBYPMFQ-INIZCTEOSA-N 1 2 324.446 1.394 20 10 DDCDLO COc1c[nH+]ccc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001211262809 733457486 /nfs/dbraw/zinc/45/74/86/733457486.db2.gz LEXZABXXAVIJAD-UHFFFAOYSA-N 1 2 307.375 1.639 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC001326577780 861458115 /nfs/dbraw/zinc/45/81/15/861458115.db2.gz OWVUIBWPDFSXHH-MRVPVSSYSA-N 1 2 307.310 1.288 20 10 DDCDLO Oc1cnc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)nc1 ZINC001140342069 860620766 /nfs/dbraw/zinc/62/07/66/860620766.db2.gz SGXDCGWHGGTSKH-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO Oc1cc(Cl)ccc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001140464649 860637969 /nfs/dbraw/zinc/63/79/69/860637969.db2.gz YQVFJEXOOPYZQC-UHFFFAOYSA-N 1 2 305.769 1.553 20 10 DDCDLO Oc1cc(F)c(F)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001142521077 861170238 /nfs/dbraw/zinc/17/02/38/861170238.db2.gz WRUFWXCNAUXHLY-CYBMUJFWSA-N 1 2 312.360 1.967 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878212 870814119 /nfs/dbraw/zinc/81/41/19/870814119.db2.gz CTPDWGFYKFCEBP-LBPRGKRZSA-N 1 2 307.346 1.442 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878212 870814131 /nfs/dbraw/zinc/81/41/31/870814131.db2.gz CTPDWGFYKFCEBP-LBPRGKRZSA-N 1 2 307.346 1.442 20 10 DDCDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc(O)c1O ZINC001204344708 871067177 /nfs/dbraw/zinc/06/71/77/871067177.db2.gz XKAMCJKTYAQVBA-JTQLQIEISA-N 1 2 303.305 1.556 20 10 DDCDLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc(O)c1O ZINC001204344708 871067191 /nfs/dbraw/zinc/06/71/91/871067191.db2.gz XKAMCJKTYAQVBA-JTQLQIEISA-N 1 2 303.305 1.556 20 10 DDCDLO COc1c[nH+]ccc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001211263679 875732697 /nfs/dbraw/zinc/73/26/97/875732697.db2.gz YUKKHYVKLBRSGV-UHFFFAOYSA-N 1 2 321.402 1.681 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc(S(C)(=O)=O)s1)c1ccccc1O ZINC001352926562 877017689 /nfs/dbraw/zinc/01/76/89/877017689.db2.gz WYRQTZOLSXAXSX-MRVPVSSYSA-N 1 2 313.404 1.498 20 10 DDCDLO CCOc1cccc(C[NH+]2CC3(C2)CC[C@H](C(N)=O)O3)c1O ZINC001277454253 884446422 /nfs/dbraw/zinc/44/64/22/884446422.db2.gz PAWNWNDQAIFSFX-CYBMUJFWSA-N 1 2 306.362 1.010 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC001232258812 886193691 /nfs/dbraw/zinc/19/36/91/886193691.db2.gz PXGMFJIGIIVJGM-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840936 886629315 /nfs/dbraw/zinc/62/93/15/886629315.db2.gz NHUYNZIAZZDFDB-CQSZACIVSA-N 1 2 324.446 1.939 20 10 DDCDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840936 886629317 /nfs/dbraw/zinc/62/93/17/886629317.db2.gz NHUYNZIAZZDFDB-CQSZACIVSA-N 1 2 324.446 1.939 20 10 DDCDLO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001236053150 889080796 /nfs/dbraw/zinc/08/07/96/889080796.db2.gz PMJCAAYOPBHMNF-NSHDSACASA-N 1 2 319.188 1.646 20 10 DDCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC001237117492 889510391 /nfs/dbraw/zinc/51/03/91/889510391.db2.gz PTNKCPJFEUMLPC-VIFPVBQESA-N 1 2 307.268 1.484 20 10 DDCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001237117492 889510408 /nfs/dbraw/zinc/51/04/08/889510408.db2.gz PTNKCPJFEUMLPC-VIFPVBQESA-N 1 2 307.268 1.484 20 10 DDCDLO C[NH+]1CCN(C2CN(Cc3cc(F)cc(Cl)c3O)C2)CC1 ZINC001237802636 889855325 /nfs/dbraw/zinc/85/53/25/889855325.db2.gz NFVIVNYVSKIZQH-UHFFFAOYSA-N 1 2 313.804 1.616 20 10 DDCDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000052636335 352621478 /nfs/dbraw/zinc/62/14/78/352621478.db2.gz QODWSYVNUPOTPO-CQSZACIVSA-N 1 2 303.406 1.508 20 10 DDCDLO O=c1[nH]nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000091619264 353831849 /nfs/dbraw/zinc/83/18/49/353831849.db2.gz YQBGOXKKCFPUET-GFCCVEGCSA-N 1 2 304.350 1.397 20 10 DDCDLO O=c1[nH]nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000091619264 353831852 /nfs/dbraw/zinc/83/18/52/353831852.db2.gz YQBGOXKKCFPUET-GFCCVEGCSA-N 1 2 304.350 1.397 20 10 DDCDLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273469373 130125450 /nfs/dbraw/zinc/12/54/50/130125450.db2.gz JIOOQAUOEUBQGM-RNCFNFMXSA-N 1 2 306.322 1.418 20 10 DDCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1S(C)(=O)=O ZINC000271931600 407735557 /nfs/dbraw/zinc/73/55/57/407735557.db2.gz LGALRYPRAFTLHH-JTQLQIEISA-N 1 2 318.826 1.511 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1S(C)(=O)=O ZINC000271931600 407735566 /nfs/dbraw/zinc/73/55/66/407735566.db2.gz LGALRYPRAFTLHH-JTQLQIEISA-N 1 2 318.826 1.511 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000175454736 408136924 /nfs/dbraw/zinc/13/69/24/408136924.db2.gz RXPKAIMOWZFDAP-LBPRGKRZSA-N 1 2 323.780 1.458 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000175454736 408136928 /nfs/dbraw/zinc/13/69/28/408136928.db2.gz RXPKAIMOWZFDAP-LBPRGKRZSA-N 1 2 323.780 1.458 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000270673947 408632543 /nfs/dbraw/zinc/63/25/43/408632543.db2.gz SOOBYQSGFVSZNK-NSHDSACASA-N 1 2 311.769 1.491 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000270673947 408632546 /nfs/dbraw/zinc/63/25/46/408632546.db2.gz SOOBYQSGFVSZNK-NSHDSACASA-N 1 2 311.769 1.491 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000289684263 409284926 /nfs/dbraw/zinc/28/49/26/409284926.db2.gz FEXQLDNRISTPFR-AWEZNQCLSA-N 1 2 314.313 1.605 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000289684263 409284929 /nfs/dbraw/zinc/28/49/29/409284929.db2.gz FEXQLDNRISTPFR-AWEZNQCLSA-N 1 2 314.313 1.605 20 10 DDCDLO O=C1NC(=O)C2(CCC([NH2+]Cc3cccc(Cl)c3O)CC2)N1 ZINC000289920436 409289876 /nfs/dbraw/zinc/28/98/76/409289876.db2.gz XMNXZQGJPKQFTA-UHFFFAOYSA-N 1 2 323.780 1.656 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511605 409292632 /nfs/dbraw/zinc/29/26/32/409292632.db2.gz ISUYJFODNUAEEL-HZPDHXFCSA-N 1 2 306.406 1.559 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511605 409292636 /nfs/dbraw/zinc/29/26/36/409292636.db2.gz ISUYJFODNUAEEL-HZPDHXFCSA-N 1 2 306.406 1.559 20 10 DDCDLO CN(C)[C@H](C(=O)N(C)Cc1ccccc1O)c1c[nH+]cn1C ZINC000280704233 409417002 /nfs/dbraw/zinc/41/70/02/409417002.db2.gz FQUTYOXBHFASLN-HNNXBMFYSA-N 1 2 302.378 1.387 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1O ZINC000317965761 409874921 /nfs/dbraw/zinc/87/49/21/409874921.db2.gz AXHNYMCXCPMDCV-TZMCWYRMSA-N 1 2 322.792 1.959 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1O ZINC000317965761 409874928 /nfs/dbraw/zinc/87/49/28/409874928.db2.gz AXHNYMCXCPMDCV-TZMCWYRMSA-N 1 2 322.792 1.959 20 10 DDCDLO COc1cc[nH+]cc1CNC(=O)NCc1cccc(OC)c1O ZINC000297937567 410054904 /nfs/dbraw/zinc/05/49/04/410054904.db2.gz JWEUJXWOJZBDDZ-UHFFFAOYSA-N 1 2 317.345 1.804 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368412 418744119 /nfs/dbraw/zinc/74/41/19/418744119.db2.gz TZXDPQSSKXXUEO-HOTGVXAUSA-N 1 2 306.406 1.905 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368412 418744123 /nfs/dbraw/zinc/74/41/23/418744123.db2.gz TZXDPQSSKXXUEO-HOTGVXAUSA-N 1 2 306.406 1.905 20 10 DDCDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125931274 696757428 /nfs/dbraw/zinc/75/74/28/696757428.db2.gz TXQDKLPEPUSLEJ-NSHDSACASA-N 1 2 302.415 1.757 20 10 DDCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125931274 696757432 /nfs/dbraw/zinc/75/74/32/696757432.db2.gz TXQDKLPEPUSLEJ-NSHDSACASA-N 1 2 302.415 1.757 20 10 DDCDLO Cn1c[nH+]cc1CC(=O)NCc1cccc(Br)c1O ZINC000765751194 701026167 /nfs/dbraw/zinc/02/61/67/701026167.db2.gz RRQKDJHUUXMONJ-UHFFFAOYSA-N 1 2 324.178 1.747 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 ZINC000773887209 697818579 /nfs/dbraw/zinc/81/85/79/697818579.db2.gz DNBSIEBSRBHYFD-HZPDHXFCSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 ZINC000773887209 697818583 /nfs/dbraw/zinc/81/85/83/697818583.db2.gz DNBSIEBSRBHYFD-HZPDHXFCSA-N 1 2 306.406 1.641 20 10 DDCDLO Cn1nnnc1CC[NH2+]Cc1cccc(Br)c1O ZINC000771874550 701335167 /nfs/dbraw/zinc/33/51/67/701335167.db2.gz CAHVIZFICWUESN-UHFFFAOYSA-N 1 2 312.171 1.011 20 10 DDCDLO C[N@H+](Cc1cccc(F)c1O)Cc1ccccc1S(N)(=O)=O ZINC000816626837 702131384 /nfs/dbraw/zinc/13/13/84/702131384.db2.gz WGMAQOWMCZJEQR-UHFFFAOYSA-N 1 2 324.377 1.811 20 10 DDCDLO C[N@@H+](Cc1cccc(F)c1O)Cc1ccccc1S(N)(=O)=O ZINC000816626837 702131387 /nfs/dbraw/zinc/13/13/87/702131387.db2.gz WGMAQOWMCZJEQR-UHFFFAOYSA-N 1 2 324.377 1.811 20 10 DDCDLO C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000841792318 702568935 /nfs/dbraw/zinc/56/89/35/702568935.db2.gz AJPWCBDOLQEXPA-ZIAGYGMSSA-N 1 2 320.437 1.220 20 10 DDCDLO COc1cc([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000820580799 704304122 /nfs/dbraw/zinc/30/41/22/704304122.db2.gz DPDNTOFQSCFLSC-UHFFFAOYSA-N 1 2 304.306 1.898 20 10 DDCDLO CCOC(=O)C[N@H+](CCn1cccn1)Cc1ccccc1O ZINC000823576780 705270800 /nfs/dbraw/zinc/27/08/00/705270800.db2.gz YVRZAOBLONUJLC-UHFFFAOYSA-N 1 2 303.362 1.654 20 10 DDCDLO CCOC(=O)C[N@@H+](CCn1cccn1)Cc1ccccc1O ZINC000823576780 705270803 /nfs/dbraw/zinc/27/08/03/705270803.db2.gz YVRZAOBLONUJLC-UHFFFAOYSA-N 1 2 303.362 1.654 20 10 DDCDLO Oc1c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc(F)c1F ZINC000876688845 705820813 /nfs/dbraw/zinc/82/08/13/705820813.db2.gz WSIMSTAXAKDZRW-KBPBESRZSA-N 1 2 312.360 1.701 20 10 DDCDLO CCOC(=O)C[N@H+](CCc1cnccn1)Cc1ccccc1O ZINC000878728451 706482918 /nfs/dbraw/zinc/48/29/18/706482918.db2.gz NBQGLRNROWISJL-UHFFFAOYSA-N 1 2 315.373 1.790 20 10 DDCDLO CCOC(=O)C[N@@H+](CCc1cnccn1)Cc1ccccc1O ZINC000878728451 706482919 /nfs/dbraw/zinc/48/29/19/706482919.db2.gz NBQGLRNROWISJL-UHFFFAOYSA-N 1 2 315.373 1.790 20 10 DDCDLO CC1(C)[C@H](NC(=O)C2=CC(=O)CS2)C[C@@H]1[NH+]1CCOCC1 ZINC000880503453 706996832 /nfs/dbraw/zinc/99/68/32/706996832.db2.gz YACGXZHGFVBFFY-OLZOCXBDSA-N 1 2 310.419 1.683 20 10 DDCDLO C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)C[NH+]1CCOCC1 ZINC000901122276 709935152 /nfs/dbraw/zinc/93/51/52/709935152.db2.gz NOMPPABKYAXHHZ-RAXLEYEMSA-N 1 2 320.389 1.035 20 10 DDCDLO CS(=O)(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893917985 710885918 /nfs/dbraw/zinc/88/59/18/710885918.db2.gz FIGCCOAEFDATMT-UHFFFAOYSA-N 1 2 320.361 1.138 20 10 DDCDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893917985 710885921 /nfs/dbraw/zinc/88/59/21/710885921.db2.gz FIGCCOAEFDATMT-UHFFFAOYSA-N 1 2 320.361 1.138 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530504 711166341 /nfs/dbraw/zinc/16/63/41/711166341.db2.gz JBBVNJNCHQVRNC-GXTWGEPZSA-N 1 2 309.362 1.208 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530504 711166344 /nfs/dbraw/zinc/16/63/44/711166344.db2.gz JBBVNJNCHQVRNC-GXTWGEPZSA-N 1 2 309.362 1.208 20 10 DDCDLO COc1cc(C(=O)N(C(N)=[NH2+])c2ccccc2F)cc(O)c1O ZINC001193114342 745983000 /nfs/dbraw/zinc/98/30/00/745983000.db2.gz QJGZZWPYFAWCPR-UHFFFAOYSA-N 1 2 319.292 1.786 20 10 DDCDLO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)cc(Cl)c1O ZINC001236193341 846543804 /nfs/dbraw/zinc/54/38/04/846543804.db2.gz BGECVZUEWUKFNX-ONGXEEELSA-N 1 2 319.188 1.774 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001139127592 860299213 /nfs/dbraw/zinc/29/92/13/860299213.db2.gz YOMFHPQYXHQLFK-RYUDHWBXSA-N 1 2 321.348 1.959 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001139127592 860299218 /nfs/dbraw/zinc/29/92/18/860299218.db2.gz YOMFHPQYXHQLFK-RYUDHWBXSA-N 1 2 321.348 1.959 20 10 DDCDLO O=C(CC[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCOCC1 ZINC001308211851 871479689 /nfs/dbraw/zinc/47/96/89/871479689.db2.gz CKQWVORMNXDPOI-UHFFFAOYSA-N 1 2 316.760 1.523 20 10 DDCDLO CCOc1ccc(N2CC3(C2)C[NH+](CC(=O)N(C)C)C3)cc1 ZINC001276925740 881121294 /nfs/dbraw/zinc/12/12/94/881121294.db2.gz IMWWOEOSDHJYGZ-UHFFFAOYSA-N 1 2 303.406 1.296 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483761 885180858 /nfs/dbraw/zinc/18/08/58/885180858.db2.gz ASHLUWPDJOOYCZ-LBPRGKRZSA-N 1 2 316.336 1.715 20 10 DDCDLO CCO[C@@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3O)CC[N@@H+]2C1 ZINC001233077211 886774434 /nfs/dbraw/zinc/77/44/34/886774434.db2.gz MMMVDAMZCJSQAB-QWHCGFSZSA-N 1 2 312.360 1.965 20 10 DDCDLO CCO[C@@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3O)CC[N@H+]2C1 ZINC001233077211 886774441 /nfs/dbraw/zinc/77/44/41/886774441.db2.gz MMMVDAMZCJSQAB-QWHCGFSZSA-N 1 2 312.360 1.965 20 10 DDCDLO Oc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)cc1Br ZINC001236769225 889344433 /nfs/dbraw/zinc/34/44/33/889344433.db2.gz VIVGFVAIMPACKR-SKDRFNHKSA-N 1 2 320.158 1.765 20 10 DDCDLO Oc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)cc1Br ZINC001236769225 889344442 /nfs/dbraw/zinc/34/44/42/889344442.db2.gz VIVGFVAIMPACKR-SKDRFNHKSA-N 1 2 320.158 1.765 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278248896 890266664 /nfs/dbraw/zinc/26/66/64/890266664.db2.gz SBRHZKFXHBMJDY-BZNIZROVSA-N 1 2 316.336 1.858 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278248896 890266679 /nfs/dbraw/zinc/26/66/79/890266679.db2.gz SBRHZKFXHBMJDY-BZNIZROVSA-N 1 2 316.336 1.858 20 10 DDCDLO COC(=O)Cc1ccc(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC001249208176 893866237 /nfs/dbraw/zinc/86/62/37/893866237.db2.gz OLQRJSQGBGPEKM-UHFFFAOYSA-N 1 2 301.346 1.320 20 10 DDCDLO COC(=O)Cc1ccc(C[N@H+]2CCn3cncc3C2)c(O)c1 ZINC001249208176 893866251 /nfs/dbraw/zinc/86/62/51/893866251.db2.gz OLQRJSQGBGPEKM-UHFFFAOYSA-N 1 2 301.346 1.320 20 10 DDCDLO CCOC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)nn1C ZINC001250549630 894328514 /nfs/dbraw/zinc/32/85/14/894328514.db2.gz XIXQUIQHPZBLNN-UHFFFAOYSA-N 1 2 315.373 1.861 20 10 DDCDLO CCOC(=O)c1cc(C[N@H+]2CCc3cccc(O)c3C2)nn1C ZINC001250549630 894328530 /nfs/dbraw/zinc/32/85/30/894328530.db2.gz XIXQUIQHPZBLNN-UHFFFAOYSA-N 1 2 315.373 1.861 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604606 130142778 /nfs/dbraw/zinc/14/27/78/130142778.db2.gz SUZDQYQEPHWLAD-WCQYABFASA-N 1 2 308.382 1.197 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604606 130142779 /nfs/dbraw/zinc/14/27/79/130142779.db2.gz SUZDQYQEPHWLAD-WCQYABFASA-N 1 2 308.382 1.197 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000175578081 408167296 /nfs/dbraw/zinc/16/72/96/408167296.db2.gz YKDKHJUKNFIQEI-OAHLLOKOSA-N 1 2 320.364 1.977 20 10 DDCDLO C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000121979085 408247336 /nfs/dbraw/zinc/24/73/36/408247336.db2.gz RVVLWMBTOUWSGX-AWEZNQCLSA-N 1 2 304.438 1.005 20 10 DDCDLO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)c(O)c1O ZINC000277683881 408991716 /nfs/dbraw/zinc/99/17/16/408991716.db2.gz ULJVRDUDXFLGIA-UHFFFAOYSA-N 1 2 306.362 1.001 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000278307412 409078419 /nfs/dbraw/zinc/07/84/19/409078419.db2.gz WNCABCKUHMFFGO-LLVKDONJSA-N 1 2 309.322 1.149 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000278307412 409078421 /nfs/dbraw/zinc/07/84/21/409078421.db2.gz WNCABCKUHMFFGO-LLVKDONJSA-N 1 2 309.322 1.149 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000373566513 418440224 /nfs/dbraw/zinc/44/02/24/418440224.db2.gz DBLDFTXXLNXIJT-LBPRGKRZSA-N 1 2 301.346 1.216 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000377706102 418714304 /nfs/dbraw/zinc/71/43/04/418714304.db2.gz TVESTIZGUJQXEY-UKRRQHHQSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000377706102 418714305 /nfs/dbraw/zinc/71/43/05/418714305.db2.gz TVESTIZGUJQXEY-UKRRQHHQSA-N 1 2 323.389 1.789 20 10 DDCDLO NS(=O)(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000369045552 418727918 /nfs/dbraw/zinc/72/79/18/418727918.db2.gz JNPPSBSWKGNMGL-UHFFFAOYSA-N 1 2 304.799 1.299 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1F ZINC000368492240 522200929 /nfs/dbraw/zinc/20/09/29/522200929.db2.gz AQYLPASMULXUAI-NSHDSACASA-N 1 2 301.312 1.505 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000783703798 698868536 /nfs/dbraw/zinc/86/85/36/698868536.db2.gz FCECTCOEFUYHGS-UKRRQHHQSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000783703798 698868541 /nfs/dbraw/zinc/86/85/41/698868541.db2.gz FCECTCOEFUYHGS-UKRRQHHQSA-N 1 2 309.362 1.289 20 10 DDCDLO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703294631 699235640 /nfs/dbraw/zinc/23/56/40/699235640.db2.gz JCFQYYHOMRYNTK-JTQLQIEISA-N 1 2 305.346 1.727 20 10 DDCDLO CCN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000758014628 700680775 /nfs/dbraw/zinc/68/07/75/700680775.db2.gz GWQGFPYPLPIZLH-UHFFFAOYSA-N 1 2 303.406 1.187 20 10 DDCDLO CCN1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000758014628 700680776 /nfs/dbraw/zinc/68/07/76/700680776.db2.gz GWQGFPYPLPIZLH-UHFFFAOYSA-N 1 2 303.406 1.187 20 10 DDCDLO Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1O ZINC000767526123 701113669 /nfs/dbraw/zinc/11/36/69/701113669.db2.gz VXHJULXZVGTMBY-TXEJJXNPSA-N 1 2 307.346 1.426 20 10 DDCDLO Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1O ZINC000767526123 701113673 /nfs/dbraw/zinc/11/36/73/701113673.db2.gz VXHJULXZVGTMBY-TXEJJXNPSA-N 1 2 307.346 1.426 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1O ZINC000868284760 702042888 /nfs/dbraw/zinc/04/28/88/702042888.db2.gz BQTFELFKGZQCQP-MJBXVCDLSA-N 1 2 321.421 1.862 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(Cl)c1 ZINC000840938234 702286519 /nfs/dbraw/zinc/28/65/19/702286519.db2.gz ZUJLFNMYFDYFEK-NSHDSACASA-N 1 2 309.753 1.090 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(Cl)c1 ZINC000840938234 702286521 /nfs/dbraw/zinc/28/65/21/702286521.db2.gz ZUJLFNMYFDYFEK-NSHDSACASA-N 1 2 309.753 1.090 20 10 DDCDLO COCC(COC)[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000840954004 702292655 /nfs/dbraw/zinc/29/26/55/702292655.db2.gz FKBJMRUETUMMHG-UHFFFAOYSA-N 1 2 324.421 1.180 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nccc(N)n2)cc1 ZINC000844401023 703026365 /nfs/dbraw/zinc/02/63/65/703026365.db2.gz JYGHLRZNEXWSPU-UHFFFAOYSA-N 1 2 301.394 1.636 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nccc(N)n2)cc1 ZINC000844401023 703026366 /nfs/dbraw/zinc/02/63/66/703026366.db2.gz JYGHLRZNEXWSPU-UHFFFAOYSA-N 1 2 301.394 1.636 20 10 DDCDLO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870089841 703912897 /nfs/dbraw/zinc/91/28/97/703912897.db2.gz BSDWGKSEXGXGJS-CYBMUJFWSA-N 1 2 304.371 1.946 20 10 DDCDLO C[C@@]1(C(F)F)C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853633724 704290285 /nfs/dbraw/zinc/29/02/85/704290285.db2.gz XOBHISMMNYXUME-AWEZNQCLSA-N 1 2 301.289 1.977 20 10 DDCDLO C[C@@]1(C(F)F)C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853633724 704290288 /nfs/dbraw/zinc/29/02/88/704290288.db2.gz XOBHISMMNYXUME-AWEZNQCLSA-N 1 2 301.289 1.977 20 10 DDCDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000874049637 704926664 /nfs/dbraw/zinc/92/66/64/704926664.db2.gz HSDGLWMWDZHZDZ-UHFFFAOYSA-N 1 2 316.760 1.823 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)CSC ZINC000823576667 705270826 /nfs/dbraw/zinc/27/08/26/705270826.db2.gz UYQAIGKLKMKUBE-ZDUSSCGKSA-N 1 2 313.419 1.481 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)CSC ZINC000823576667 705270828 /nfs/dbraw/zinc/27/08/28/705270828.db2.gz UYQAIGKLKMKUBE-ZDUSSCGKSA-N 1 2 313.419 1.481 20 10 DDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876789721 705878051 /nfs/dbraw/zinc/87/80/51/705878051.db2.gz GZTJJMBQLYNFEA-JTQLQIEISA-N 1 2 320.361 1.184 20 10 DDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876789721 705878053 /nfs/dbraw/zinc/87/80/53/705878053.db2.gz GZTJJMBQLYNFEA-JTQLQIEISA-N 1 2 320.361 1.184 20 10 DDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826985562 705906090 /nfs/dbraw/zinc/90/60/90/705906090.db2.gz ISPNBSAVHXYQGX-CMPLNLGQSA-N 1 2 323.773 1.086 20 10 DDCDLO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(F)c(F)c1O ZINC000877628138 706164488 /nfs/dbraw/zinc/16/44/88/706164488.db2.gz CUFREMMSCLPNOX-UHFFFAOYSA-N 1 2 315.364 1.122 20 10 DDCDLO COc1ccc(N2CC[C@H](Nc3nc(C)[nH+]c(N)n3)C2)cc1 ZINC000865931253 706567696 /nfs/dbraw/zinc/56/76/96/706567696.db2.gz CUNCVBOYVOJQBP-NSHDSACASA-N 1 2 300.366 1.462 20 10 DDCDLO COc1ccc(N2CC[C@H](Nc3nc(N)nc(C)[nH+]3)C2)cc1 ZINC000865931253 706567698 /nfs/dbraw/zinc/56/76/98/706567698.db2.gz CUNCVBOYVOJQBP-NSHDSACASA-N 1 2 300.366 1.462 20 10 DDCDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000900387012 709567057 /nfs/dbraw/zinc/56/70/57/709567057.db2.gz ODRUSBILZBHFAO-ZDUSSCGKSA-N 1 2 314.389 1.666 20 10 DDCDLO Oc1c(F)cc(F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000893902717 710881357 /nfs/dbraw/zinc/88/13/57/710881357.db2.gz MSPKMJGMLBFVEJ-AWEZNQCLSA-N 1 2 312.360 1.967 20 10 DDCDLO COc1cc(C)cc(C[NH2+][C@@H](C(N)=O)c2ccccn2)c1O ZINC000894870013 711303122 /nfs/dbraw/zinc/30/31/22/711303122.db2.gz GOKSMXSJIODDBV-CQSZACIVSA-N 1 2 301.346 1.420 20 10 DDCDLO COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@H+](C)C1 ZINC000894995523 711355918 /nfs/dbraw/zinc/35/59/18/711355918.db2.gz ZIEQUCWJXLPOAB-NSHDSACASA-N 1 2 314.332 1.207 20 10 DDCDLO COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@@H+](C)C1 ZINC000894995523 711355922 /nfs/dbraw/zinc/35/59/22/711355922.db2.gz ZIEQUCWJXLPOAB-NSHDSACASA-N 1 2 314.332 1.207 20 10 DDCDLO CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)CC1 ZINC001204666955 738890494 /nfs/dbraw/zinc/89/04/94/738890494.db2.gz ASXWKUHJWATZCP-UHFFFAOYSA-N 1 2 302.466 1.624 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)ccc1[N+](=O)[O-] ZINC000826889892 759418409 /nfs/dbraw/zinc/41/84/09/759418409.db2.gz ZRGGJAMKTDVFNU-PSASIEDQSA-N 1 2 319.321 1.696 20 10 DDCDLO C[N@@H+]1CCCC2(CCN(C(=O)c3cc(O)[nH]c(=O)c3)CC2)C1 ZINC001269919279 842154129 /nfs/dbraw/zinc/15/41/29/842154129.db2.gz MJCUTSOCIBZZCR-UHFFFAOYSA-N 1 2 305.378 1.441 20 10 DDCDLO C[N@H+]1CCCC2(CCN(C(=O)c3cc(O)[nH]c(=O)c3)CC2)C1 ZINC001269919279 842154136 /nfs/dbraw/zinc/15/41/36/842154136.db2.gz MJCUTSOCIBZZCR-UHFFFAOYSA-N 1 2 305.378 1.441 20 10 DDCDLO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1[NH3+] ZINC001236343288 846571450 /nfs/dbraw/zinc/57/14/50/846571450.db2.gz PAWMUFUWPIZHPY-MWLCHTKSSA-N 1 2 319.188 1.631 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001139127393 860296692 /nfs/dbraw/zinc/29/66/92/860296692.db2.gz VLVFSWWCHPDDOM-QWRGUYRKSA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001139127393 860296702 /nfs/dbraw/zinc/29/67/02/860296702.db2.gz VLVFSWWCHPDDOM-QWRGUYRKSA-N 1 2 307.321 1.712 20 10 DDCDLO COC(=O)C1C[NH+](Cc2c(O)cccc2Br)C1 ZINC001140099101 860574855 /nfs/dbraw/zinc/57/48/55/860574855.db2.gz WWRFKYVFWZEEJV-UHFFFAOYSA-N 1 2 300.152 1.760 20 10 DDCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2nnn(C)c21 ZINC001204274149 871030656 /nfs/dbraw/zinc/03/06/56/871030656.db2.gz JYIADPCNTPCZME-LBPRGKRZSA-N 1 2 318.377 1.362 20 10 DDCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)Cc2nnn(C)c21 ZINC001204274149 871030678 /nfs/dbraw/zinc/03/06/78/871030678.db2.gz JYIADPCNTPCZME-LBPRGKRZSA-N 1 2 318.377 1.362 20 10 DDCDLO COc1cc(C[NH+]2CCN(c3cccnn3)CC2)cc(O)c1O ZINC001204345757 871066574 /nfs/dbraw/zinc/06/65/74/871066574.db2.gz WWGGCZHOAPVNEB-UHFFFAOYSA-N 1 2 316.361 1.219 20 10 DDCDLO COCCOCN1CC2(C1)C[NH+](Cc1cccc(F)c1O)C2 ZINC001276538682 873351130 /nfs/dbraw/zinc/35/11/30/873351130.db2.gz ZRJCAJGSRHQYLV-UHFFFAOYSA-N 1 2 310.369 1.269 20 10 DDCDLO COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CC[N@H+](C)C2)c1O ZINC001227620490 883109399 /nfs/dbraw/zinc/10/93/99/883109399.db2.gz ISYZXWHZCOSFSD-SSDOTTSWSA-N 1 2 315.347 1.110 20 10 DDCDLO COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CC[N@@H+](C)C2)c1O ZINC001227620490 883109411 /nfs/dbraw/zinc/10/94/11/883109411.db2.gz ISYZXWHZCOSFSD-SSDOTTSWSA-N 1 2 315.347 1.110 20 10 DDCDLO COCCN1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1=O ZINC001231911176 885941012 /nfs/dbraw/zinc/94/10/12/885941012.db2.gz FHPLRTLUQYMUFL-STQMWFEESA-N 1 2 324.808 1.582 20 10 DDCDLO COCCN1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1=O ZINC001231911176 885941021 /nfs/dbraw/zinc/94/10/21/885941021.db2.gz FHPLRTLUQYMUFL-STQMWFEESA-N 1 2 324.808 1.582 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198249 886157395 /nfs/dbraw/zinc/15/73/95/886157395.db2.gz NJJVJLWPXRAOLN-HNNXBMFYSA-N 1 2 323.824 1.626 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198249 886157402 /nfs/dbraw/zinc/15/74/02/886157402.db2.gz NJJVJLWPXRAOLN-HNNXBMFYSA-N 1 2 323.824 1.626 20 10 DDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269116 886199040 /nfs/dbraw/zinc/19/90/40/886199040.db2.gz WEYGHOKKBYRWOL-SECBINFHSA-N 1 2 305.783 1.370 20 10 DDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269116 886199046 /nfs/dbraw/zinc/19/90/46/886199046.db2.gz WEYGHOKKBYRWOL-SECBINFHSA-N 1 2 305.783 1.370 20 10 DDCDLO Oc1ccc(F)c(F)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001233334696 886927326 /nfs/dbraw/zinc/92/73/26/886927326.db2.gz QFSVEGZHFVMSOB-GFCCVEGCSA-N 1 2 312.360 1.967 20 10 DDCDLO CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001234474689 888011495 /nfs/dbraw/zinc/01/14/95/888011495.db2.gz WCMOAOKSUDEONZ-DUZHOBMZSA-N 1 2 305.330 1.483 20 10 DDCDLO CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001234474689 888011506 /nfs/dbraw/zinc/01/15/06/888011506.db2.gz WCMOAOKSUDEONZ-DUZHOBMZSA-N 1 2 305.330 1.483 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000274087272 130203941 /nfs/dbraw/zinc/20/39/41/130203941.db2.gz HXEPRCOOMQEIKF-ZDUSSCGKSA-N 1 2 314.426 1.901 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000274087272 130203944 /nfs/dbraw/zinc/20/39/44/130203944.db2.gz HXEPRCOOMQEIKF-ZDUSSCGKSA-N 1 2 314.426 1.901 20 10 DDCDLO COCC1(O)C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000297408935 132013996 /nfs/dbraw/zinc/01/39/96/132013996.db2.gz CTQUEEAWTFOSJO-UHFFFAOYSA-N 1 2 316.195 1.656 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1 ZINC000068678567 406655591 /nfs/dbraw/zinc/65/55/91/406655591.db2.gz ZCJCNEQNGXJEGY-UHFFFAOYSA-N 1 2 305.422 1.589 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184696061 408670430 /nfs/dbraw/zinc/67/04/30/408670430.db2.gz GEOZNDFRMVPFIC-GFCCVEGCSA-N 1 2 301.770 1.901 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184696061 408670436 /nfs/dbraw/zinc/67/04/36/408670436.db2.gz GEOZNDFRMVPFIC-GFCCVEGCSA-N 1 2 301.770 1.901 20 10 DDCDLO Cc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c(O)c1O ZINC000279442175 409215683 /nfs/dbraw/zinc/21/56/83/409215683.db2.gz ZWBCQXBESBUYBC-GFCCVEGCSA-N 1 2 308.378 1.199 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]21 ZINC000377701539 418713419 /nfs/dbraw/zinc/71/34/19/418713419.db2.gz TZGCAWOXXCZLNL-QPUJVOFHSA-N 1 2 319.785 1.804 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]21 ZINC000377701539 418713421 /nfs/dbraw/zinc/71/34/21/418713421.db2.gz TZGCAWOXXCZLNL-QPUJVOFHSA-N 1 2 319.785 1.804 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378109446 418719003 /nfs/dbraw/zinc/71/90/03/418719003.db2.gz JEAVXBCQYSOFQB-NSHDSACASA-N 1 2 316.361 1.481 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378109446 418719005 /nfs/dbraw/zinc/71/90/05/418719005.db2.gz JEAVXBCQYSOFQB-NSHDSACASA-N 1 2 316.361 1.481 20 10 DDCDLO COc1ccc(O)c(CNC(=O)C2([NH+]3CCOCC3)CCC2)c1 ZINC000376548848 418698737 /nfs/dbraw/zinc/69/87/37/418698737.db2.gz SEPBVUROXWSQII-UHFFFAOYSA-N 1 2 320.389 1.272 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000370365084 418743121 /nfs/dbraw/zinc/74/31/21/418743121.db2.gz DBEJLZOLHJCBOJ-DZGCQCFKSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000370365084 418743122 /nfs/dbraw/zinc/74/31/22/418743122.db2.gz DBEJLZOLHJCBOJ-DZGCQCFKSA-N 1 2 323.389 1.943 20 10 DDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000371426190 418792025 /nfs/dbraw/zinc/79/20/25/418792025.db2.gz OYCMDVDAQZLECF-MRXNPFEDSA-N 1 2 305.422 1.432 20 10 DDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000371426190 418792028 /nfs/dbraw/zinc/79/20/28/418792028.db2.gz OYCMDVDAQZLECF-MRXNPFEDSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(N2CCOCC2)cc1 ZINC000775259512 697977157 /nfs/dbraw/zinc/97/71/57/697977157.db2.gz VWQXUAQZNUJAPG-CYBMUJFWSA-N 1 2 313.405 1.746 20 10 DDCDLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776252465 698088090 /nfs/dbraw/zinc/08/80/90/698088090.db2.gz AKPSVLRWLRZKIP-JTQLQIEISA-N 1 2 307.774 1.852 20 10 DDCDLO Cc1cccn2cc(CC(=O)NCc3ccc(O)c(O)c3)[nH+]c12 ZINC000778921459 698382070 /nfs/dbraw/zinc/38/20/70/698382070.db2.gz BLNNLEZIPSHJHT-UHFFFAOYSA-N 1 2 311.341 1.913 20 10 DDCDLO CN(C)C(=O)COC1C[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000751945015 700329154 /nfs/dbraw/zinc/32/91/54/700329154.db2.gz XKSPTKZSNAGGBD-UHFFFAOYSA-N 1 2 304.390 1.170 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000768190879 701162424 /nfs/dbraw/zinc/16/24/24/701162424.db2.gz CYWQZQRMQBTNHV-CQSZACIVSA-N 1 2 306.406 1.697 20 10 DDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467793 701246169 /nfs/dbraw/zinc/24/61/69/701246169.db2.gz YOAAGUOAYZZOTF-HLFMIMNKSA-N 1 2 322.474 1.865 20 10 DDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467793 701246171 /nfs/dbraw/zinc/24/61/71/701246171.db2.gz YOAAGUOAYZZOTF-HLFMIMNKSA-N 1 2 322.474 1.865 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000811502354 701994349 /nfs/dbraw/zinc/99/43/49/701994349.db2.gz RDEQLYWHJXBZDQ-INIZCTEOSA-N 1 2 305.374 1.971 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000811502354 701994354 /nfs/dbraw/zinc/99/43/54/701994354.db2.gz RDEQLYWHJXBZDQ-INIZCTEOSA-N 1 2 305.374 1.971 20 10 DDCDLO C[C@@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1O ZINC000868284751 702042823 /nfs/dbraw/zinc/04/28/23/702042823.db2.gz BQTFELFKGZQCQP-MCIONIFRSA-N 1 2 321.421 1.862 20 10 DDCDLO CCc1nnc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)[nH]1 ZINC000844402065 703026627 /nfs/dbraw/zinc/02/66/27/703026627.db2.gz TVWGJYGRZIRZPH-UHFFFAOYSA-N 1 2 303.410 1.944 20 10 DDCDLO CCc1nnc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)[nH]1 ZINC000844402065 703026629 /nfs/dbraw/zinc/02/66/29/703026629.db2.gz TVWGJYGRZIRZPH-UHFFFAOYSA-N 1 2 303.410 1.944 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1S(C)(=O)=O ZINC000852528818 704068589 /nfs/dbraw/zinc/06/85/89/704068589.db2.gz AJYIXBRJXUYQPP-CYBMUJFWSA-N 1 2 311.451 1.218 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCN1S(C)(=O)=O ZINC000852528818 704068590 /nfs/dbraw/zinc/06/85/90/704068590.db2.gz AJYIXBRJXUYQPP-CYBMUJFWSA-N 1 2 311.451 1.218 20 10 DDCDLO CNC(=O)C[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000827862787 706077891 /nfs/dbraw/zinc/07/78/91/706077891.db2.gz QCPHGDNQVABIME-UHFFFAOYSA-N 1 2 301.184 1.641 20 10 DDCDLO CNC(=O)C[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000827862787 706077892 /nfs/dbraw/zinc/07/78/92/706077892.db2.gz QCPHGDNQVABIME-UHFFFAOYSA-N 1 2 301.184 1.641 20 10 DDCDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877558651 706142150 /nfs/dbraw/zinc/14/21/50/706142150.db2.gz LALPIWCNTIJCCQ-SNVBAGLBSA-N 1 2 300.305 1.943 20 10 DDCDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877558651 706142152 /nfs/dbraw/zinc/14/21/52/706142152.db2.gz LALPIWCNTIJCCQ-SNVBAGLBSA-N 1 2 300.305 1.943 20 10 DDCDLO Cn1nnnc1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877780149 706208496 /nfs/dbraw/zinc/20/84/96/706208496.db2.gz UZKJRPFGEGMWDD-UHFFFAOYSA-N 1 2 309.320 1.574 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000838744013 707972292 /nfs/dbraw/zinc/97/22/92/707972292.db2.gz ZKMOEAGOTANULR-NSHDSACASA-N 1 2 318.377 1.737 20 10 DDCDLO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000839196687 708035379 /nfs/dbraw/zinc/03/53/79/708035379.db2.gz QGZDZCHOUYQWQE-ZDUSSCGKSA-N 1 2 315.421 1.453 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)CC3CC3)CC2)cc1 ZINC000916985230 713477161 /nfs/dbraw/zinc/47/71/61/713477161.db2.gz YSMCGPNEBNMZEZ-UHFFFAOYSA-N 1 2 317.433 1.686 20 10 DDCDLO O=c1[nH]ccn2c(C[NH2+]Cc3ccc4c(c3)CCCO4)nnc12 ZINC000922341276 714024996 /nfs/dbraw/zinc/02/49/96/714024996.db2.gz PCUMDXQJVLNNHA-UHFFFAOYSA-N 1 2 311.345 1.032 20 10 DDCDLO CC(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089801893 747881083 /nfs/dbraw/zinc/88/10/83/747881083.db2.gz AEWHDXQEBOWOJM-UHFFFAOYSA-N 1 2 300.366 1.026 20 10 DDCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC001116368742 780500670 /nfs/dbraw/zinc/50/06/70/780500670.db2.gz DORCFWXDPDXOCE-AWEZNQCLSA-N 1 2 317.433 1.874 20 10 DDCDLO Oc1c(F)cccc1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001138123968 860009871 /nfs/dbraw/zinc/00/98/71/860009871.db2.gz UFOFLYFJFOIMOR-LBPRGKRZSA-N 1 2 309.259 1.657 20 10 DDCDLO Oc1c(F)cccc1C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001138123968 860009881 /nfs/dbraw/zinc/00/98/81/860009881.db2.gz UFOFLYFJFOIMOR-LBPRGKRZSA-N 1 2 309.259 1.657 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585127 860658909 /nfs/dbraw/zinc/65/89/09/860658909.db2.gz UDDZRBMQLHICRR-JTQLQIEISA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585127 860658911 /nfs/dbraw/zinc/65/89/11/860658911.db2.gz UDDZRBMQLHICRR-JTQLQIEISA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031971 860768039 /nfs/dbraw/zinc/76/80/39/860768039.db2.gz OWIAORYYUDJZSK-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031971 860768046 /nfs/dbraw/zinc/76/80/46/860768046.db2.gz OWIAORYYUDJZSK-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141157665 860797554 /nfs/dbraw/zinc/79/75/54/860797554.db2.gz LLSOAJFGXLCWTM-ZDUSSCGKSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141157665 860797558 /nfs/dbraw/zinc/79/75/58/860797558.db2.gz LLSOAJFGXLCWTM-ZDUSSCGKSA-N 1 2 317.389 1.967 20 10 DDCDLO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001206669066 865245584 /nfs/dbraw/zinc/24/55/84/865245584.db2.gz ZHBJFOBITGKRQJ-OAHLLOKOSA-N 1 2 311.376 1.692 20 10 DDCDLO C[N@H+](CCNS(C)(=O)=O)Cc1cc(Cl)cc(F)c1O ZINC001337240318 869397341 /nfs/dbraw/zinc/39/73/41/869397341.db2.gz VJCCJFWDXBGUHV-UHFFFAOYSA-N 1 2 310.778 1.166 20 10 DDCDLO C[N@@H+](CCNS(C)(=O)=O)Cc1cc(Cl)cc(F)c1O ZINC001337240318 869397353 /nfs/dbraw/zinc/39/73/53/869397353.db2.gz VJCCJFWDXBGUHV-UHFFFAOYSA-N 1 2 310.778 1.166 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001203627988 870681731 /nfs/dbraw/zinc/68/17/31/870681731.db2.gz UMWYUSDJFHCJNH-UHFFFAOYSA-N 1 2 320.389 1.224 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001203627988 870681734 /nfs/dbraw/zinc/68/17/34/870681734.db2.gz UMWYUSDJFHCJNH-UHFFFAOYSA-N 1 2 320.389 1.224 20 10 DDCDLO COc1cc(Br)cc(C[NH+]2CC3(COC3)C2)c1O ZINC001204336250 871060900 /nfs/dbraw/zinc/06/09/00/871060900.db2.gz JFGREKFPXOVKOI-UHFFFAOYSA-N 1 2 314.179 1.996 20 10 DDCDLO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276538681 873349686 /nfs/dbraw/zinc/34/96/86/873349686.db2.gz ZQOLKXPJJZKXCW-OKILXGFUSA-N 1 2 321.396 1.268 20 10 DDCDLO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276538681 873349699 /nfs/dbraw/zinc/34/96/99/873349699.db2.gz ZQOLKXPJJZKXCW-OKILXGFUSA-N 1 2 321.396 1.268 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC(=O)N1 ZINC001237053797 889485125 /nfs/dbraw/zinc/48/51/25/889485125.db2.gz QTBPIJAREUOPSL-VIFPVBQESA-N 1 2 318.295 1.654 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC(=O)N1 ZINC001237053797 889485132 /nfs/dbraw/zinc/48/51/32/889485132.db2.gz QTBPIJAREUOPSL-VIFPVBQESA-N 1 2 318.295 1.654 20 10 DDCDLO Cc1ccc(C)c(C[N@@H+]2Cc3ccnn3CC[C@H]2C(N)=O)c1O ZINC001278354151 891541223 /nfs/dbraw/zinc/54/12/23/891541223.db2.gz GKWXCBOGCATXIG-HNNXBMFYSA-N 1 2 314.389 1.465 20 10 DDCDLO Cc1ccc(C)c(C[N@H+]2Cc3ccnn3CC[C@H]2C(N)=O)c1O ZINC001278354151 891541236 /nfs/dbraw/zinc/54/12/36/891541236.db2.gz GKWXCBOGCATXIG-HNNXBMFYSA-N 1 2 314.389 1.465 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnnn3C)CC2)cc1F ZINC000091923104 353838715 /nfs/dbraw/zinc/83/87/15/353838715.db2.gz OTWKWEQFNPHSPU-UHFFFAOYSA-N 1 2 305.357 1.285 20 10 DDCDLO C[C@H]1OCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000298615273 132070513 /nfs/dbraw/zinc/07/05/13/132070513.db2.gz MQFZQBWOBRXQRC-ZIAGYGMSSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000298615273 132070514 /nfs/dbraw/zinc/07/05/14/132070514.db2.gz MQFZQBWOBRXQRC-ZIAGYGMSSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000051474614 407140129 /nfs/dbraw/zinc/14/01/29/407140129.db2.gz VSMPNVRIPTWJMN-CABCVRRESA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000051474614 407140131 /nfs/dbraw/zinc/14/01/31/407140131.db2.gz VSMPNVRIPTWJMN-CABCVRRESA-N 1 2 319.449 1.820 20 10 DDCDLO COC[C@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000269602882 408359275 /nfs/dbraw/zinc/35/92/75/408359275.db2.gz AXXXMSHQYBWATO-GFCCVEGCSA-N 1 2 317.769 1.028 20 10 DDCDLO COC[C@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000269602882 408359278 /nfs/dbraw/zinc/35/92/78/408359278.db2.gz AXXXMSHQYBWATO-GFCCVEGCSA-N 1 2 317.769 1.028 20 10 DDCDLO Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(O)c1O ZINC000177657955 408678519 /nfs/dbraw/zinc/67/85/19/408678519.db2.gz IUPXUBQPNTVWGA-UHFFFAOYSA-N 1 2 308.378 1.247 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276730763 408895763 /nfs/dbraw/zinc/89/57/63/408895763.db2.gz TUJUYCOWHAYSKB-UHFFFAOYSA-N 1 2 317.320 1.594 20 10 DDCDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000293017812 409049179 /nfs/dbraw/zinc/04/91/79/409049179.db2.gz CEJDXLBWEMABIG-CQSZACIVSA-N 1 2 302.378 2.000 20 10 DDCDLO Cc1nnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000293017812 409049182 /nfs/dbraw/zinc/04/91/82/409049182.db2.gz CEJDXLBWEMABIG-CQSZACIVSA-N 1 2 302.378 2.000 20 10 DDCDLO C[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294776604 409303590 /nfs/dbraw/zinc/30/35/90/409303590.db2.gz UBHVYQUCWCRJSF-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO COc1cccc(C[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000371326175 418779660 /nfs/dbraw/zinc/77/96/60/418779660.db2.gz HYRVYFWQGRPMKS-GJZGRUSLSA-N 1 2 306.406 1.432 20 10 DDCDLO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000273456643 279522137 /nfs/dbraw/zinc/52/21/37/279522137.db2.gz HDWHBFJRABDPQQ-ZWNOBZJWSA-N 1 2 307.350 1.960 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1OC ZINC000377303368 295004268 /nfs/dbraw/zinc/00/42/68/295004268.db2.gz CMNQYJYGIDWCOF-FIKIJFGZSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1OC ZINC000377303368 295004271 /nfs/dbraw/zinc/00/42/71/295004271.db2.gz CMNQYJYGIDWCOF-FIKIJFGZSA-N 1 2 313.419 1.752 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000899 337083601 /nfs/dbraw/zinc/08/36/01/337083601.db2.gz UGOHSSQFXUBGBM-RYUDHWBXSA-N 1 2 323.345 1.273 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000899 337083602 /nfs/dbraw/zinc/08/36/02/337083602.db2.gz UGOHSSQFXUBGBM-RYUDHWBXSA-N 1 2 323.345 1.273 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)cc1F ZINC000182484690 520893367 /nfs/dbraw/zinc/89/33/67/520893367.db2.gz XTAGEJFEKYHBIU-INIZCTEOSA-N 1 2 323.412 1.619 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)cc1F ZINC000182484690 520893378 /nfs/dbraw/zinc/89/33/78/520893378.db2.gz XTAGEJFEKYHBIU-INIZCTEOSA-N 1 2 323.412 1.619 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000238032762 527370088 /nfs/dbraw/zinc/37/00/88/527370088.db2.gz VDFOZHXNWPTYCL-OAHLLOKOSA-N 1 2 302.330 1.994 20 10 DDCDLO CN(C)C(=O)CC[NH2+]Cc1cccc(Br)c1O ZINC000042412435 696148933 /nfs/dbraw/zinc/14/89/33/696148933.db2.gz LJQLAGRXIONXMM-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000228356192 697774209 /nfs/dbraw/zinc/77/42/09/697774209.db2.gz YHLJKMROYMYFQK-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000782297279 698705671 /nfs/dbraw/zinc/70/56/71/698705671.db2.gz YNYYYCWIIZYNFU-PYEVWLCESA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000785733488 699097017 /nfs/dbraw/zinc/09/70/17/699097017.db2.gz PETGMQAAMJFZLD-QWRGUYRKSA-N 1 2 307.346 1.697 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000394472819 699107110 /nfs/dbraw/zinc/10/71/10/699107110.db2.gz YQHOFJIMXJDZIU-LBPRGKRZSA-N 1 2 306.362 1.035 20 10 DDCDLO CN1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000715819665 699277281 /nfs/dbraw/zinc/27/72/81/699277281.db2.gz YQOORPRECOJVJL-VIFPVBQESA-N 1 2 317.158 1.614 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c1 ZINC000769448047 701245094 /nfs/dbraw/zinc/24/50/94/701245094.db2.gz XZKKZMMHJUYZIA-CQSZACIVSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c1 ZINC000769448047 701245096 /nfs/dbraw/zinc/24/50/96/701245096.db2.gz XZKKZMMHJUYZIA-CQSZACIVSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)c1 ZINC000769445844 701245113 /nfs/dbraw/zinc/24/51/13/701245113.db2.gz GXXSSGKOTSRIIY-HNNXBMFYSA-N 1 2 308.378 1.128 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)c1 ZINC000769445844 701245115 /nfs/dbraw/zinc/24/51/15/701245115.db2.gz GXXSSGKOTSRIIY-HNNXBMFYSA-N 1 2 308.378 1.128 20 10 DDCDLO COc1cc(O)c(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1OC ZINC000814180026 702491618 /nfs/dbraw/zinc/49/16/18/702491618.db2.gz MGKNZUFMYRIFHK-NSHDSACASA-N 1 2 309.362 1.935 20 10 DDCDLO COc1cc(O)c(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1OC ZINC000814180026 702491620 /nfs/dbraw/zinc/49/16/20/702491620.db2.gz MGKNZUFMYRIFHK-NSHDSACASA-N 1 2 309.362 1.935 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC000846442775 703277018 /nfs/dbraw/zinc/27/70/18/703277018.db2.gz XBCZAVNJWGMLAA-UHFFFAOYSA-N 1 2 316.405 1.566 20 10 DDCDLO CCOc1ccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c(O)c1 ZINC000848564782 703563530 /nfs/dbraw/zinc/56/35/30/703563530.db2.gz IIAKQRBUURXKQZ-UHFFFAOYSA-N 1 2 305.382 1.822 20 10 DDCDLO CN(C)c1ccc(CNC(=O)CN2CCn3c[nH+]cc3C2)cc1 ZINC000852061337 703915183 /nfs/dbraw/zinc/91/51/83/703915183.db2.gz QYQSWNCWVUFFKO-UHFFFAOYSA-N 1 2 313.405 1.081 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000855228231 704474101 /nfs/dbraw/zinc/47/41/01/704474101.db2.gz YAJNOGQDZYRRJB-AWEZNQCLSA-N 1 2 314.389 1.746 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000855228231 704474102 /nfs/dbraw/zinc/47/41/02/704474102.db2.gz YAJNOGQDZYRRJB-AWEZNQCLSA-N 1 2 314.389 1.746 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000855227756 704474154 /nfs/dbraw/zinc/47/41/54/704474154.db2.gz YRFKFXDUKQNKKT-CYBMUJFWSA-N 1 2 300.362 1.287 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000857226248 704566048 /nfs/dbraw/zinc/56/60/48/704566048.db2.gz JAYUETDJVOHKSC-HKUYNNGSSA-N 1 2 314.477 1.752 20 10 DDCDLO Oc1c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)ccc(F)c1F ZINC000876626343 705789995 /nfs/dbraw/zinc/78/99/95/705789995.db2.gz WAWDYQIGVYBKJJ-ZDUSSCGKSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1c(C[N@H+]2CCC[C@H]2CN2CCOCC2)ccc(F)c1F ZINC000876626343 705789997 /nfs/dbraw/zinc/78/99/97/705789997.db2.gz WAWDYQIGVYBKJJ-ZDUSSCGKSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc(F)c1F ZINC000876688848 705820963 /nfs/dbraw/zinc/82/09/63/705820963.db2.gz WSIMSTAXAKDZRW-ZIAGYGMSSA-N 1 2 312.360 1.701 20 10 DDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000877702440 706182365 /nfs/dbraw/zinc/18/23/65/706182365.db2.gz SRAPDMXJXMLTOO-UHFFFAOYSA-N 1 2 308.744 1.953 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867302698 706952921 /nfs/dbraw/zinc/95/29/21/706952921.db2.gz SQAQKMKKFYJGNV-XQJDBVBESA-N 1 2 320.389 1.033 20 10 DDCDLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502741 707021103 /nfs/dbraw/zinc/02/11/03/707021103.db2.gz CBIJBAGRQXHGGE-MBVDDHJVSA-N 1 2 317.433 1.818 20 10 DDCDLO CCN(C)c1ccc(Cn2cc(C[N@H+](C)CCOC)nn2)cc1 ZINC000881314717 707193105 /nfs/dbraw/zinc/19/31/05/707193105.db2.gz BXLWUKXWYJVABN-UHFFFAOYSA-N 1 2 317.437 1.861 20 10 DDCDLO CCN(C)c1ccc(Cn2cc(C[N@@H+](C)CCOC)nn2)cc1 ZINC000881314717 707193107 /nfs/dbraw/zinc/19/31/07/707193107.db2.gz BXLWUKXWYJVABN-UHFFFAOYSA-N 1 2 317.437 1.861 20 10 DDCDLO CCOCCN1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891577538 710239633 /nfs/dbraw/zinc/23/96/33/710239633.db2.gz TZMJELZFDIREPK-UHFFFAOYSA-N 1 2 324.421 1.564 20 10 DDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1O ZINC000892159971 710384139 /nfs/dbraw/zinc/38/41/39/710384139.db2.gz RNFRJMWATHABAD-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1O ZINC000892159971 710384140 /nfs/dbraw/zinc/38/41/40/710384140.db2.gz RNFRJMWATHABAD-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO C/C(=C\C(=O)N[C@@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000913763820 713297676 /nfs/dbraw/zinc/29/76/76/713297676.db2.gz SIDQIEJDGXASSM-CMPYXILNSA-N 1 2 304.390 1.848 20 10 DDCDLO C[S@@](=O)c1c[nH]c2nc[nH+]c(NCc3ccc(O)c(O)c3)c12 ZINC001169992731 763561609 /nfs/dbraw/zinc/56/16/09/763561609.db2.gz CBLTYMIMOYARGH-JOCHJYFZSA-N 1 2 318.358 1.670 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001144515344 772558343 /nfs/dbraw/zinc/55/83/43/772558343.db2.gz KLICBDOWAKCJCC-CQSZACIVSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001144515344 772558345 /nfs/dbraw/zinc/55/83/45/772558345.db2.gz KLICBDOWAKCJCC-CQSZACIVSA-N 1 2 302.330 1.772 20 10 DDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129891 779616016 /nfs/dbraw/zinc/61/60/16/779616016.db2.gz LVSVQAMXKGHINN-PPYMECGQSA-N 1 2 317.433 1.603 20 10 DDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129891 779616020 /nfs/dbraw/zinc/61/60/20/779616020.db2.gz LVSVQAMXKGHINN-PPYMECGQSA-N 1 2 317.433 1.603 20 10 DDCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001272386254 846091518 /nfs/dbraw/zinc/09/15/18/846091518.db2.gz KUHMJVTWOHPUPM-LBPRGKRZSA-N 1 2 320.389 1.310 20 10 DDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001138501280 860121136 /nfs/dbraw/zinc/12/11/36/860121136.db2.gz NPDCOJASFFKNEJ-QGZVFWFLSA-N 1 2 304.390 1.313 20 10 DDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001138501280 860121139 /nfs/dbraw/zinc/12/11/39/860121139.db2.gz NPDCOJASFFKNEJ-QGZVFWFLSA-N 1 2 304.390 1.313 20 10 DDCDLO COC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660215 860669812 /nfs/dbraw/zinc/66/98/12/860669812.db2.gz JQAWBTUCVWOBCZ-UHFFFAOYSA-N 1 2 308.353 1.267 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cc(OC)cc1OC ZINC001141026545 860765528 /nfs/dbraw/zinc/76/55/28/860765528.db2.gz UQQPWPSBNDMIQG-DIFFPNOSSA-N 1 2 321.373 1.937 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cc(OC)cc1OC ZINC001141026545 860765531 /nfs/dbraw/zinc/76/55/31/860765531.db2.gz UQQPWPSBNDMIQG-DIFFPNOSSA-N 1 2 321.373 1.937 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC001331230853 864956416 /nfs/dbraw/zinc/95/64/16/864956416.db2.gz YAENJTRSEQYXAG-KBPBESRZSA-N 1 2 314.389 1.848 20 10 DDCDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320509422 866787795 /nfs/dbraw/zinc/78/77/95/866787795.db2.gz QCEAGOFMJBMORQ-OAHLLOKOSA-N 1 2 317.433 1.312 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nnn(C)c21 ZINC001203671049 870703636 /nfs/dbraw/zinc/70/36/36/870703636.db2.gz IAPMWRQTQAXWSF-GFCCVEGCSA-N 1 2 318.377 1.275 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nnn(C)c21 ZINC001203671049 870703645 /nfs/dbraw/zinc/70/36/45/870703645.db2.gz IAPMWRQTQAXWSF-GFCCVEGCSA-N 1 2 318.377 1.275 20 10 DDCDLO COc1cc(C[NH+]2CC3(C2)CCN(C(C)=O)C3)cc(O)c1O ZINC001204341928 871060962 /nfs/dbraw/zinc/06/09/62/871060962.db2.gz HOZABYWKFIFAFG-UHFFFAOYSA-N 1 2 306.362 1.161 20 10 DDCDLO CC(C)(CNC(=O)NCc1ccc(N)cc1)[NH+]1CCOCC1 ZINC001346634286 873832227 /nfs/dbraw/zinc/83/22/27/873832227.db2.gz WHCZPKOQPVELBA-UHFFFAOYSA-N 1 2 306.410 1.179 20 10 DDCDLO COC(=O)c1sc(C(=O)OC)c(O[C@H]2CC[N@H+](C)C2)c1O ZINC001227620491 883108936 /nfs/dbraw/zinc/10/89/36/883108936.db2.gz ISYZXWHZCOSFSD-ZETCQYMHSA-N 1 2 315.347 1.110 20 10 DDCDLO COC(=O)c1sc(C(=O)OC)c(O[C@H]2CC[N@@H+](C)C2)c1O ZINC001227620491 883108953 /nfs/dbraw/zinc/10/89/53/883108953.db2.gz ISYZXWHZCOSFSD-ZETCQYMHSA-N 1 2 315.347 1.110 20 10 DDCDLO Oc1cc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)cc(O)c1O ZINC001276832774 880674137 /nfs/dbraw/zinc/67/41/37/880674137.db2.gz CEMYETQNONDWMF-UHFFFAOYSA-N 1 2 315.373 1.592 20 10 DDCDLO Oc1cc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)cc(O)c1O ZINC001276832774 880674145 /nfs/dbraw/zinc/67/41/45/880674145.db2.gz CEMYETQNONDWMF-UHFFFAOYSA-N 1 2 315.373 1.592 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CCN[C@@H](C(F)(F)F)C3)ccc21 ZINC001236982673 889459857 /nfs/dbraw/zinc/45/98/57/889459857.db2.gz VPRKEOPGOULDGG-CQSZACIVSA-N 1 2 315.339 1.851 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CCN[C@@H](C(F)(F)F)C3)ccc21 ZINC001236982673 889459865 /nfs/dbraw/zinc/45/98/65/889459865.db2.gz VPRKEOPGOULDGG-CQSZACIVSA-N 1 2 315.339 1.851 20 10 DDCDLO COc1cc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)cc(O)c1O ZINC001278235609 890229192 /nfs/dbraw/zinc/22/91/92/890229192.db2.gz MGIIPFHWBOTBLA-LLVKDONJSA-N 1 2 306.362 1.017 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(OC(=O)NC(C)C)C2)cc1OC ZINC000297423181 132014879 /nfs/dbraw/zinc/01/48/79/132014879.db2.gz NRKMGVLZBDRTSG-UHFFFAOYSA-N 1 2 324.377 1.728 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1F ZINC000084866585 407095210 /nfs/dbraw/zinc/09/52/10/407095210.db2.gz DVJIAUBKQYMURG-AWEZNQCLSA-N 1 2 307.369 1.187 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000175454713 408135811 /nfs/dbraw/zinc/13/58/11/408135811.db2.gz RXPKAIMOWZFDAP-GFCCVEGCSA-N 1 2 323.780 1.458 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000175454713 408135819 /nfs/dbraw/zinc/13/58/19/408135819.db2.gz RXPKAIMOWZFDAP-GFCCVEGCSA-N 1 2 323.780 1.458 20 10 DDCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)NC1CC1 ZINC000120762905 408142924 /nfs/dbraw/zinc/14/29/24/408142924.db2.gz VQNTZVBQLQHRMJ-UHFFFAOYSA-N 1 2 323.824 1.442 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000184702112 408670714 /nfs/dbraw/zinc/67/07/14/408670714.db2.gz MSQOEFPBLXICBH-NSHDSACASA-N 1 2 311.769 1.264 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000184702112 408670720 /nfs/dbraw/zinc/67/07/20/408670720.db2.gz MSQOEFPBLXICBH-NSHDSACASA-N 1 2 311.769 1.264 20 10 DDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294795417 409303741 /nfs/dbraw/zinc/30/37/41/409303741.db2.gz VMGFQHXPPNPYHJ-VIFPVBQESA-N 1 2 307.774 1.804 20 10 DDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294795417 409303745 /nfs/dbraw/zinc/30/37/45/409303745.db2.gz VMGFQHXPPNPYHJ-VIFPVBQESA-N 1 2 307.774 1.804 20 10 DDCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000352119604 410492308 /nfs/dbraw/zinc/49/23/08/410492308.db2.gz FIUFLCHHRQNMQW-AWEZNQCLSA-N 1 2 315.417 1.824 20 10 DDCDLO CCOc1cccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)c1O ZINC000378342343 418721367 /nfs/dbraw/zinc/72/13/67/418721367.db2.gz OKFNWYOLGWDXGV-STQMWFEESA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1cccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)c1O ZINC000378342343 418721368 /nfs/dbraw/zinc/72/13/68/418721368.db2.gz OKFNWYOLGWDXGV-STQMWFEESA-N 1 2 309.362 1.553 20 10 DDCDLO Cc1ccc(O)c(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1 ZINC000378352835 418721594 /nfs/dbraw/zinc/72/15/94/418721594.db2.gz XFRIDEANLVEFAG-UHFFFAOYSA-N 1 2 317.433 1.616 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCc3nnc(N)cc3C2)cc1F ZINC000371375186 418787048 /nfs/dbraw/zinc/78/70/48/418787048.db2.gz UFQQBPZTXZFCAI-UHFFFAOYSA-N 1 2 301.369 1.822 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCc3nnc(N)cc3C2)cc1F ZINC000371375186 418787051 /nfs/dbraw/zinc/78/70/51/418787051.db2.gz UFQQBPZTXZFCAI-UHFFFAOYSA-N 1 2 301.369 1.822 20 10 DDCDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(O)c1O ZINC000365772433 418906692 /nfs/dbraw/zinc/90/66/92/418906692.db2.gz ABNVHRYIFQLKJY-LBPRGKRZSA-N 1 2 313.357 1.892 20 10 DDCDLO CN1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCC1=O ZINC000084061287 696555319 /nfs/dbraw/zinc/55/53/19/696555319.db2.gz KECQSRGGWUUABF-SNVBAGLBSA-N 1 2 313.195 1.865 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774844371 697933942 /nfs/dbraw/zinc/93/39/42/697933942.db2.gz ADSSTEWKSVIPIV-NSHDSACASA-N 1 2 309.322 1.019 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774844371 697933945 /nfs/dbraw/zinc/93/39/45/697933945.db2.gz ADSSTEWKSVIPIV-NSHDSACASA-N 1 2 309.322 1.019 20 10 DDCDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775732835 698026933 /nfs/dbraw/zinc/02/69/33/698026933.db2.gz BFVWAYLGIYOXNH-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775732835 698026939 /nfs/dbraw/zinc/02/69/39/698026939.db2.gz BFVWAYLGIYOXNH-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO COC[C@@H](O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743814 699276595 /nfs/dbraw/zinc/27/65/95/699276595.db2.gz BNZGXZVJZPORFG-JTQLQIEISA-N 1 2 322.174 1.781 20 10 DDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cc[nH+]c1 ZINC000788666105 699332447 /nfs/dbraw/zinc/33/24/47/699332447.db2.gz QCYGSWCEEDXEKX-UHFFFAOYSA-N 1 2 314.389 1.378 20 10 DDCDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000789580910 699397142 /nfs/dbraw/zinc/39/71/42/699397142.db2.gz NDJZMYRUFXFTAQ-HNNXBMFYSA-N 1 2 311.353 1.979 20 10 DDCDLO CCn1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000793346421 699751822 /nfs/dbraw/zinc/75/18/22/699751822.db2.gz OUYYSGWEOAOQIY-UHFFFAOYSA-N 1 2 307.310 1.210 20 10 DDCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCOC1 ZINC000796012428 699906916 /nfs/dbraw/zinc/90/69/16/699906916.db2.gz YZMIPHYENYKCBG-GXSJLCMTSA-N 1 2 303.761 1.919 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000802660070 700416356 /nfs/dbraw/zinc/41/63/56/700416356.db2.gz ABRJEKZEEYVHRD-ZDUSSCGKSA-N 1 2 300.286 1.215 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000802660070 700416357 /nfs/dbraw/zinc/41/63/57/700416357.db2.gz ABRJEKZEEYVHRD-ZDUSSCGKSA-N 1 2 300.286 1.215 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754741962 700523637 /nfs/dbraw/zinc/52/36/37/700523637.db2.gz POLNVSSHAAKSRR-AWEZNQCLSA-N 1 2 309.362 1.473 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754741962 700523639 /nfs/dbraw/zinc/52/36/39/700523639.db2.gz POLNVSSHAAKSRR-AWEZNQCLSA-N 1 2 309.362 1.473 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000764848213 700988246 /nfs/dbraw/zinc/98/82/46/700988246.db2.gz GSTFINCDGVCRDE-GFCCVEGCSA-N 1 2 301.346 1.216 20 10 DDCDLO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000768536963 701185443 /nfs/dbraw/zinc/18/54/43/701185443.db2.gz VRTSAEWMLLTDFJ-AWEZNQCLSA-N 1 2 317.744 1.997 20 10 DDCDLO C[C@@H]1[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000839507434 701719276 /nfs/dbraw/zinc/71/92/76/701719276.db2.gz IKDXVYIFIVMENB-AWEZNQCLSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@@H]1[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000839507434 701719282 /nfs/dbraw/zinc/71/92/82/701719282.db2.gz IKDXVYIFIVMENB-AWEZNQCLSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845929764 703216858 /nfs/dbraw/zinc/21/68/58/703216858.db2.gz FGTSHSGNKFUPBQ-RYUDHWBXSA-N 1 2 303.362 1.993 20 10 DDCDLO COc1c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1[N+](=O)[O-] ZINC000846102368 703238348 /nfs/dbraw/zinc/23/83/48/703238348.db2.gz DRNOURQLKZXPLE-FRGLDACASA-N 1 2 312.347 1.014 20 10 DDCDLO COc1c(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1[N+](=O)[O-] ZINC000846102368 703238350 /nfs/dbraw/zinc/23/83/50/703238350.db2.gz DRNOURQLKZXPLE-FRGLDACASA-N 1 2 312.347 1.014 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000862529721 705726941 /nfs/dbraw/zinc/72/69/41/705726941.db2.gz GLUZKMSYZBBPGY-LLVKDONJSA-N 1 2 314.313 1.869 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000862529721 705726943 /nfs/dbraw/zinc/72/69/43/705726943.db2.gz GLUZKMSYZBBPGY-LLVKDONJSA-N 1 2 314.313 1.869 20 10 DDCDLO Cn1cc(C[N@H+](C)Cc2ccc(Br)cc2O)nn1 ZINC000827304871 705972122 /nfs/dbraw/zinc/97/21/22/705972122.db2.gz HYLVSVDUTVBOQJ-UHFFFAOYSA-N 1 2 311.183 1.915 20 10 DDCDLO Cn1cc(C[N@@H+](C)Cc2ccc(Br)cc2O)nn1 ZINC000827304871 705972124 /nfs/dbraw/zinc/97/21/24/705972124.db2.gz HYLVSVDUTVBOQJ-UHFFFAOYSA-N 1 2 311.183 1.915 20 10 DDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cccc(Cl)c1O ZINC000890759486 709979434 /nfs/dbraw/zinc/97/94/34/709979434.db2.gz LHPNYDNSTIDHQV-GORDUTHDSA-N 1 2 310.781 1.550 20 10 DDCDLO COc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)c(O)c1OC ZINC000891495826 710219537 /nfs/dbraw/zinc/21/95/37/710219537.db2.gz STSVLOJNNKNULE-UHFFFAOYSA-N 1 2 322.405 1.710 20 10 DDCDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894875109 711304884 /nfs/dbraw/zinc/30/48/84/711304884.db2.gz UWYLUQZYQGDYLK-NSHDSACASA-N 1 2 300.305 1.943 20 10 DDCDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894875109 711304888 /nfs/dbraw/zinc/30/48/88/711304888.db2.gz UWYLUQZYQGDYLK-NSHDSACASA-N 1 2 300.305 1.943 20 10 DDCDLO Cn1ncnc1C1(O)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000895619196 711560856 /nfs/dbraw/zinc/56/08/56/711560856.db2.gz UHJVNFBRFAZPGP-UHFFFAOYSA-N 1 2 310.357 1.377 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000925609486 714899452 /nfs/dbraw/zinc/89/94/52/714899452.db2.gz UNAWMSZKQCXAST-KGLIPLIRSA-N 1 2 321.421 1.863 20 10 DDCDLO COc1cc(C(=O)N2CCc3[nH+]ccn3CC2)cc(O)c1O ZINC001193098805 745976644 /nfs/dbraw/zinc/97/66/44/745976644.db2.gz WBPXYQNZVJFKHL-UHFFFAOYSA-N 1 2 303.318 1.001 20 10 DDCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001272386253 846090907 /nfs/dbraw/zinc/09/09/07/846090907.db2.gz KUHMJVTWOHPUPM-GFCCVEGCSA-N 1 2 320.389 1.310 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCOC[C@H](O)C1 ZINC001139126844 860295687 /nfs/dbraw/zinc/29/56/87/860295687.db2.gz RZMOGYOCDLRQOO-LLVKDONJSA-N 1 2 305.330 1.000 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCOC[C@H](O)C1 ZINC001139126844 860295696 /nfs/dbraw/zinc/29/56/96/860295696.db2.gz RZMOGYOCDLRQOO-LLVKDONJSA-N 1 2 305.330 1.000 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001139127590 860299513 /nfs/dbraw/zinc/29/95/13/860299513.db2.gz YOMFHPQYXHQLFK-NEPJUHHUSA-N 1 2 321.348 1.959 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001139127590 860299517 /nfs/dbraw/zinc/29/95/17/860299517.db2.gz YOMFHPQYXHQLFK-NEPJUHHUSA-N 1 2 321.348 1.959 20 10 DDCDLO Oc1ccc(F)c(F)c1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222684641 880651658 /nfs/dbraw/zinc/65/16/58/880651658.db2.gz KFCRXIOAHVRFMT-INIZCTEOSA-N 1 2 311.376 1.588 20 10 DDCDLO CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231450523 885669835 /nfs/dbraw/zinc/66/98/35/885669835.db2.gz GAJBTAHRLBJHQO-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231450523 885669841 /nfs/dbraw/zinc/66/98/41/885669841.db2.gz GAJBTAHRLBJHQO-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231450523 885669848 /nfs/dbraw/zinc/66/98/48/885669848.db2.gz GAJBTAHRLBJHQO-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231450523 885669854 /nfs/dbraw/zinc/66/98/54/885669854.db2.gz GAJBTAHRLBJHQO-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c(O)cc1O ZINC001231637195 885776429 /nfs/dbraw/zinc/77/64/29/885776429.db2.gz IPJLFAKPRYVGGW-UHFFFAOYSA-N 1 2 322.405 1.797 20 10 DDCDLO COC(=O)N1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332647 886929083 /nfs/dbraw/zinc/92/90/83/886929083.db2.gz SFOGETNKGNLOBI-UHFFFAOYSA-N 1 2 300.305 1.945 20 10 DDCDLO COC(=O)N1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332647 886929091 /nfs/dbraw/zinc/92/90/91/886929091.db2.gz SFOGETNKGNLOBI-UHFFFAOYSA-N 1 2 300.305 1.945 20 10 DDCDLO CCOCc1noc2c1C[N@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233484871 887018170 /nfs/dbraw/zinc/01/81/70/887018170.db2.gz AHLYQWLKMNLEEN-UHFFFAOYSA-N 1 2 320.345 1.886 20 10 DDCDLO CCOCc1noc2c1C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233484871 887018186 /nfs/dbraw/zinc/01/81/86/887018186.db2.gz AHLYQWLKMNLEEN-UHFFFAOYSA-N 1 2 320.345 1.886 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238060237 890007138 /nfs/dbraw/zinc/00/71/38/890007138.db2.gz GOUHIRXDFVGPBT-LBPRGKRZSA-N 1 2 320.368 1.714 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238060237 890007152 /nfs/dbraw/zinc/00/71/52/890007152.db2.gz GOUHIRXDFVGPBT-LBPRGKRZSA-N 1 2 320.368 1.714 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)cc1F ZINC000084963944 192475358 /nfs/dbraw/zinc/47/53/58/192475358.db2.gz RPTVBHOJEUOMQA-GFCCVEGCSA-N 1 2 309.385 1.433 20 10 DDCDLO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(F)c(F)c1O ZINC000295934607 299297031 /nfs/dbraw/zinc/29/70/31/299297031.db2.gz LBNUBVQAQKTURU-JTQLQIEISA-N 1 2 300.349 1.778 20 10 DDCDLO COc1ccc(N2CC[NH+](CCCS(C)(=O)=O)CC2)cc1 ZINC000103138633 407332572 /nfs/dbraw/zinc/33/25/72/407332572.db2.gz VAUNYSMPSAFWRQ-UHFFFAOYSA-N 1 2 312.435 1.252 20 10 DDCDLO COCC[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294339337 409282465 /nfs/dbraw/zinc/28/24/65/409282465.db2.gz AKKFKBDOXGRJSN-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1COC1 ZINC000295546728 409340797 /nfs/dbraw/zinc/34/07/97/409340797.db2.gz WRRLDPSZACICSH-UHFFFAOYSA-N 1 2 319.449 1.820 20 10 DDCDLO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1COC1 ZINC000295546728 409340801 /nfs/dbraw/zinc/34/08/01/409340801.db2.gz WRRLDPSZACICSH-UHFFFAOYSA-N 1 2 319.449 1.820 20 10 DDCDLO O=C(NCc1ccccc1O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368300067 418717630 /nfs/dbraw/zinc/71/76/30/418717630.db2.gz ULWLGYRDJIWNTK-AWEZNQCLSA-N 1 2 305.378 1.055 20 10 DDCDLO O=C(NCc1ccccc1O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368300067 418717632 /nfs/dbraw/zinc/71/76/32/418717632.db2.gz ULWLGYRDJIWNTK-AWEZNQCLSA-N 1 2 305.378 1.055 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c1 ZINC000371403470 418789221 /nfs/dbraw/zinc/78/92/21/418789221.db2.gz RWNSNSDIDKBFCN-HNNXBMFYSA-N 1 2 323.389 1.945 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c1 ZINC000371403470 418789223 /nfs/dbraw/zinc/78/92/23/418789223.db2.gz RWNSNSDIDKBFCN-HNNXBMFYSA-N 1 2 323.389 1.945 20 10 DDCDLO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157585203 522174413 /nfs/dbraw/zinc/17/44/13/522174413.db2.gz XLDZPPHYVOTMIV-GFCCVEGCSA-N 1 2 300.399 1.511 20 10 DDCDLO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157585203 522174418 /nfs/dbraw/zinc/17/44/18/522174418.db2.gz XLDZPPHYVOTMIV-GFCCVEGCSA-N 1 2 300.399 1.511 20 10 DDCDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181221327 522801038 /nfs/dbraw/zinc/80/10/38/522801038.db2.gz AXPVUGAQFYZCLX-GQCTYLIASA-N 1 2 301.346 1.856 20 10 DDCDLO Cc1cccc(C[N@@H+]2CCn3c(nn(CC(F)F)c3=O)C2)c1O ZINC000366023945 524406127 /nfs/dbraw/zinc/40/61/27/524406127.db2.gz KXTRFBLTUAWRFW-UHFFFAOYSA-N 1 2 324.331 1.340 20 10 DDCDLO Cc1cccc(C[N@H+]2CCn3c(nn(CC(F)F)c3=O)C2)c1O ZINC000366023945 524406138 /nfs/dbraw/zinc/40/61/38/524406138.db2.gz KXTRFBLTUAWRFW-UHFFFAOYSA-N 1 2 324.331 1.340 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000093816599 696601839 /nfs/dbraw/zinc/60/18/39/696601839.db2.gz UPZUVAUJFOMZHF-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000093816599 696601840 /nfs/dbraw/zinc/60/18/40/696601840.db2.gz UPZUVAUJFOMZHF-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO C[N@H+](CC(=O)NC1CC1)Cc1cccc(Br)c1O ZINC000120349620 696694437 /nfs/dbraw/zinc/69/44/37/696694437.db2.gz JWYDGWHGMVFCLM-UHFFFAOYSA-N 1 2 313.195 1.865 20 10 DDCDLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(Br)c1O ZINC000120349620 696694439 /nfs/dbraw/zinc/69/44/39/696694439.db2.gz JWYDGWHGMVFCLM-UHFFFAOYSA-N 1 2 313.195 1.865 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(CCCCO)CC2)cc1OC ZINC000775690121 698023237 /nfs/dbraw/zinc/02/32/37/698023237.db2.gz JMRLSCNZQDSQDE-UHFFFAOYSA-N 1 2 324.421 1.300 20 10 DDCDLO CCOc1ccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c(O)c1 ZINC000779614564 698442473 /nfs/dbraw/zinc/44/24/73/698442473.db2.gz SWCJZJAXWPNPQG-LLVKDONJSA-N 1 2 318.377 1.493 20 10 DDCDLO C[S@@](=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745076 699276478 /nfs/dbraw/zinc/27/64/78/699276478.db2.gz JZXUVYRAXUENOQ-MRXNPFEDSA-N 1 2 310.188 1.762 20 10 DDCDLO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715716465 699276059 /nfs/dbraw/zinc/27/60/59/699276059.db2.gz FVCLMWZXKRGZLQ-ZETCQYMHSA-N 1 2 319.174 1.908 20 10 DDCDLO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000792197165 699682202 /nfs/dbraw/zinc/68/22/02/699682202.db2.gz YTAWFIPOPHGRFW-LBPRGKRZSA-N 1 2 321.776 1.688 20 10 DDCDLO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000768536966 701185337 /nfs/dbraw/zinc/18/53/37/701185337.db2.gz VRTSAEWMLLTDFJ-CQSZACIVSA-N 1 2 317.744 1.997 20 10 DDCDLO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)cc(F)c1O ZINC000810242842 701746509 /nfs/dbraw/zinc/74/65/09/701746509.db2.gz BHGYZSPTYWMERF-SECBINFHSA-N 1 2 312.320 1.495 20 10 DDCDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1O ZINC000868369762 702092949 /nfs/dbraw/zinc/09/29/49/702092949.db2.gz ZDLYMWDTWSYTLY-ZDUSSCGKSA-N 1 2 321.421 1.863 20 10 DDCDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1O ZINC000868369762 702092956 /nfs/dbraw/zinc/09/29/56/702092956.db2.gz ZDLYMWDTWSYTLY-ZDUSSCGKSA-N 1 2 321.421 1.863 20 10 DDCDLO Cc1cc(N(C)C)ccc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000840917901 702278413 /nfs/dbraw/zinc/27/84/13/702278413.db2.gz VEFURDLHHQQKNP-JOCHJYFZSA-N 1 2 323.506 1.557 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000840943267 702288649 /nfs/dbraw/zinc/28/86/49/702288649.db2.gz ZQZCVUCCTPRLNI-SNVBAGLBSA-N 1 2 303.811 1.973 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000840943267 702288654 /nfs/dbraw/zinc/28/86/54/702288654.db2.gz ZQZCVUCCTPRLNI-SNVBAGLBSA-N 1 2 303.811 1.973 20 10 DDCDLO Oc1cccc(Br)c1C[NH2+]Cc1nnc2n1CCC2 ZINC000858094155 704665186 /nfs/dbraw/zinc/66/51/86/704665186.db2.gz DJSKKEVIQLPGAP-UHFFFAOYSA-N 1 2 323.194 1.982 20 10 DDCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826986803 705906757 /nfs/dbraw/zinc/90/67/57/705906757.db2.gz YTKNSLUHDVYXCD-MNOVXSKESA-N 1 2 323.773 1.086 20 10 DDCDLO Cc1nc(N(C)Cc2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000865417964 706426516 /nfs/dbraw/zinc/42/65/16/706426516.db2.gz FIDOICCASNECOF-UHFFFAOYSA-N 1 2 314.393 1.235 20 10 DDCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(Cl)ccc1O ZINC000882320198 707583151 /nfs/dbraw/zinc/58/31/51/707583151.db2.gz GZLTYQFNTJPPOH-UHFFFAOYSA-N 1 2 315.782 1.362 20 10 DDCDLO CC[C@@H](C(=O)NCCc1ccc(N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911783689 710985750 /nfs/dbraw/zinc/98/57/50/710985750.db2.gz XMCNSSFSNPEESN-SJORKVTESA-N 1 2 319.449 1.817 20 10 DDCDLO CC[C@@H](C(=O)NCCc1ccc(N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911783689 710985752 /nfs/dbraw/zinc/98/57/52/710985752.db2.gz XMCNSSFSNPEESN-SJORKVTESA-N 1 2 319.449 1.817 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090011 711405404 /nfs/dbraw/zinc/40/54/04/711405404.db2.gz QSYDEALYKVODEZ-MWLCHTKSSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090011 711405409 /nfs/dbraw/zinc/40/54/09/711405409.db2.gz QSYDEALYKVODEZ-MWLCHTKSSA-N 1 2 301.289 1.026 20 10 DDCDLO CCOC(=O)C[N@H+](CCO[C@H]1CCOC1)Cc1ccccc1O ZINC000930763180 713913943 /nfs/dbraw/zinc/91/39/43/713913943.db2.gz HZZKKMJQMKCYIX-HNNXBMFYSA-N 1 2 323.389 1.563 20 10 DDCDLO CCOC(=O)C[N@@H+](CCO[C@H]1CCOC1)Cc1ccccc1O ZINC000930763180 713913945 /nfs/dbraw/zinc/91/39/45/713913945.db2.gz HZZKKMJQMKCYIX-HNNXBMFYSA-N 1 2 323.389 1.563 20 10 DDCDLO Nc1cn2ccc(NCCc3cc(O)c(O)cc3O)cc2[nH+]1 ZINC001168010379 740590807 /nfs/dbraw/zinc/59/08/07/740590807.db2.gz UYFMOHLDJHMSIB-UHFFFAOYSA-N 1 2 300.318 1.688 20 10 DDCDLO COc1cc(Cl)cc(C[NH2+][C@H](C(N)=O)c2ccccn2)c1O ZINC001181958879 743411672 /nfs/dbraw/zinc/41/16/72/743411672.db2.gz RIKUPKPZFCCHGN-ZDUSSCGKSA-N 1 2 321.764 1.765 20 10 DDCDLO C[S@](=O)c1c[nH]c2nc[nH+]c(NCc3ccc(O)c(O)c3)c12 ZINC001169992733 763561401 /nfs/dbraw/zinc/56/14/01/763561401.db2.gz CBLTYMIMOYARGH-QFIPXVFZSA-N 1 2 318.358 1.670 20 10 DDCDLO NC(=[NH2+])N(C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1F ZINC001148589778 773541779 /nfs/dbraw/zinc/54/17/79/773541779.db2.gz LAMAYRUXEXJRQD-UHFFFAOYSA-N 1 2 305.265 1.483 20 10 DDCDLO CC[C@H](C)N1CC2(C[NH+](Cc3cc(C)ccc3O)C2)OCC1=O ZINC001272622744 846421342 /nfs/dbraw/zinc/42/13/42/846421342.db2.gz QNGBAGOVNSLWCP-AWEZNQCLSA-N 1 2 318.417 1.912 20 10 DDCDLO Oc1c(F)cccc1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001138123967 860010319 /nfs/dbraw/zinc/01/03/19/860010319.db2.gz UFOFLYFJFOIMOR-GFCCVEGCSA-N 1 2 309.259 1.657 20 10 DDCDLO Oc1c(F)cccc1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001138123967 860010331 /nfs/dbraw/zinc/01/03/31/860010331.db2.gz UFOFLYFJFOIMOR-GFCCVEGCSA-N 1 2 309.259 1.657 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001139127392 860295111 /nfs/dbraw/zinc/29/51/11/860295111.db2.gz VLVFSWWCHPDDOM-MNOVXSKESA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](F)C[C@H]1CO ZINC001139127392 860295115 /nfs/dbraw/zinc/29/51/15/860295115.db2.gz VLVFSWWCHPDDOM-MNOVXSKESA-N 1 2 307.321 1.712 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC001203684514 870711173 /nfs/dbraw/zinc/71/11/73/870711173.db2.gz YPPDBABQUSFFAX-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC001203684514 870711167 /nfs/dbraw/zinc/71/11/67/870711167.db2.gz YPPDBABQUSFFAX-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CN1CCO[C@]2(CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001276471423 871134832 /nfs/dbraw/zinc/13/48/32/871134832.db2.gz WRNWUHWTFWWEOK-MRXNPFEDSA-N 1 2 312.360 1.967 20 10 DDCDLO CN1CCO[C@]2(CCC[N@@H+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001276471423 871134839 /nfs/dbraw/zinc/13/48/39/871134839.db2.gz WRNWUHWTFWWEOK-MRXNPFEDSA-N 1 2 312.360 1.967 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001343496438 872648273 /nfs/dbraw/zinc/64/82/73/872648273.db2.gz ZYNYEFARLBBROT-HZPDHXFCSA-N 1 2 305.422 1.774 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001343496438 872648282 /nfs/dbraw/zinc/64/82/82/872648282.db2.gz ZYNYEFARLBBROT-HZPDHXFCSA-N 1 2 305.422 1.774 20 10 DDCDLO CCC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231849763 885905009 /nfs/dbraw/zinc/90/50/09/885905009.db2.gz YRKXEYXURSDWMV-UHFFFAOYSA-N 1 2 305.422 1.815 20 10 DDCDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913720 885941472 /nfs/dbraw/zinc/94/14/72/885941472.db2.gz QRPFIUQCPABMOG-GFCCVEGCSA-N 1 2 312.797 1.773 20 10 DDCDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913720 885941490 /nfs/dbraw/zinc/94/14/90/885941490.db2.gz QRPFIUQCPABMOG-GFCCVEGCSA-N 1 2 312.797 1.773 20 10 DDCDLO O=C1COCCN1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231912979 885942185 /nfs/dbraw/zinc/94/21/85/885942185.db2.gz BPZMGTUKQUMWSA-UHFFFAOYSA-N 1 2 324.808 1.869 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1C(F)(F)F ZINC001233010065 886721003 /nfs/dbraw/zinc/72/10/03/886721003.db2.gz JOOJTCIXQJSLPF-BDAKNGLRSA-N 1 2 307.268 1.406 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1C(F)(F)F ZINC001233010065 886721010 /nfs/dbraw/zinc/72/10/10/886721010.db2.gz JOOJTCIXQJSLPF-BDAKNGLRSA-N 1 2 307.268 1.406 20 10 DDCDLO Oc1c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)ccc(F)c1F ZINC001233080645 886775729 /nfs/dbraw/zinc/77/57/29/886775729.db2.gz ZBXYYTATFUQEHO-ZDUSSCGKSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cncnc2)CC1 ZINC001233335738 886929998 /nfs/dbraw/zinc/92/99/98/886929998.db2.gz JFDQKOHAYOIKOG-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811629 889367509 /nfs/dbraw/zinc/36/75/09/889367509.db2.gz UEDFRLPPRUSQSJ-OAHLLOKOSA-N 1 2 309.362 1.473 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811629 889367525 /nfs/dbraw/zinc/36/75/25/889367525.db2.gz UEDFRLPPRUSQSJ-OAHLLOKOSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CCCO1 ZINC001237941109 889950566 /nfs/dbraw/zinc/95/05/66/889950566.db2.gz PVVKXQHGOFGYDM-CYBMUJFWSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CCCO1 ZINC001237941109 889950578 /nfs/dbraw/zinc/95/05/78/889950578.db2.gz PVVKXQHGOFGYDM-CYBMUJFWSA-N 1 2 317.744 1.949 20 10 DDCDLO C[C@H]1OCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000298615270 132070036 /nfs/dbraw/zinc/07/00/36/132070036.db2.gz MQFZQBWOBRXQRC-UONOGXRCSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000298615270 132070040 /nfs/dbraw/zinc/07/00/40/132070040.db2.gz MQFZQBWOBRXQRC-UONOGXRCSA-N 1 2 305.422 1.478 20 10 DDCDLO Cc1ccc(O)c(C[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000120430147 292164212 /nfs/dbraw/zinc/16/42/12/292164212.db2.gz RRFFNQMPQJCISY-OAHLLOKOSA-N 1 2 324.446 1.005 20 10 DDCDLO COc1ccc(N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000192716572 408634853 /nfs/dbraw/zinc/63/48/53/408634853.db2.gz VJCQWRCSHPVVLL-INIZCTEOSA-N 1 2 319.449 1.538 20 10 DDCDLO COc1ccc(N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000192716572 408634856 /nfs/dbraw/zinc/63/48/56/408634856.db2.gz VJCQWRCSHPVVLL-INIZCTEOSA-N 1 2 319.449 1.538 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCOC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000281655113 408903929 /nfs/dbraw/zinc/90/39/29/408903929.db2.gz BVVYBBIPMWQFFK-OAHLLOKOSA-N 1 2 324.333 1.300 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCOC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000281655113 408903932 /nfs/dbraw/zinc/90/39/32/408903932.db2.gz BVVYBBIPMWQFFK-OAHLLOKOSA-N 1 2 324.333 1.300 20 10 DDCDLO CCOCC[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295367034 409453014 /nfs/dbraw/zinc/45/30/14/409453014.db2.gz WKOPQQNKICCCAP-UHFFFAOYSA-N 1 2 312.341 1.031 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373566512 418439842 /nfs/dbraw/zinc/43/98/42/418439842.db2.gz DBLDFTXXLNXIJT-GFCCVEGCSA-N 1 2 301.346 1.216 20 10 DDCDLO COC(=O)[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)O ZINC000372772118 418900957 /nfs/dbraw/zinc/90/09/57/418900957.db2.gz JDKUEYVJSDRCCW-MLGOLLRUSA-N 1 2 322.405 1.176 20 10 DDCDLO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187774367 279610424 /nfs/dbraw/zinc/61/04/24/279610424.db2.gz MOQZQRCGNNQKNA-SECBINFHSA-N 1 2 322.377 1.649 20 10 DDCDLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000187160635 697541758 /nfs/dbraw/zinc/54/17/58/697541758.db2.gz XROQVTBYHHTRHW-UHFFFAOYSA-N 1 2 308.378 1.281 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000779143534 698398920 /nfs/dbraw/zinc/39/89/20/698398920.db2.gz KLDRFNBQXTZAAW-HIFRSBDPSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000779143534 698398923 /nfs/dbraw/zinc/39/89/23/698398923.db2.gz KLDRFNBQXTZAAW-HIFRSBDPSA-N 1 2 323.389 1.943 20 10 DDCDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779215089 698402682 /nfs/dbraw/zinc/40/26/82/698402682.db2.gz IHWAISPNYVQUGY-GFCCVEGCSA-N 1 2 306.362 1.564 20 10 DDCDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779215089 698402684 /nfs/dbraw/zinc/40/26/84/698402684.db2.gz IHWAISPNYVQUGY-GFCCVEGCSA-N 1 2 306.362 1.564 20 10 DDCDLO COc1cccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000779666649 698451661 /nfs/dbraw/zinc/45/16/61/698451661.db2.gz VAZXUVUOROIHBO-LBPRGKRZSA-N 1 2 316.361 1.412 20 10 DDCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CCOC1 ZINC000796012436 699906884 /nfs/dbraw/zinc/90/68/84/699906884.db2.gz YZMIPHYENYKCBG-KOLCDFICSA-N 1 2 303.761 1.919 20 10 DDCDLO CN(C)C(=O)COC1C[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464455 701179742 /nfs/dbraw/zinc/17/97/42/701179742.db2.gz SAJYOIHQDNHPTL-UHFFFAOYSA-N 1 2 318.417 1.560 20 10 DDCDLO C[S@](=O)CC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769479403 701246692 /nfs/dbraw/zinc/24/66/92/701246692.db2.gz INGGJSUYWQLLPW-FQEVSTJZSA-N 1 2 316.854 1.542 20 10 DDCDLO CCn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)n1 ZINC000840955244 702292438 /nfs/dbraw/zinc/29/24/38/702292438.db2.gz PDDUYZZRNRYDER-UHFFFAOYSA-N 1 2 306.322 1.815 20 10 DDCDLO COCCOCC[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC000846115824 703239521 /nfs/dbraw/zinc/23/95/21/703239521.db2.gz BQBNNGZRQGJZFO-UHFFFAOYSA-N 1 2 324.421 1.181 20 10 DDCDLO COc1cccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccn2)c1O ZINC000846168547 703246016 /nfs/dbraw/zinc/24/60/16/703246016.db2.gz AJMLTMGJUNKOIG-YGRLFVJLSA-N 1 2 301.346 1.673 20 10 DDCDLO CCOC(=O)C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1O ZINC000823581371 705271323 /nfs/dbraw/zinc/27/13/23/705271323.db2.gz HQEIJQCSUKIJID-CYBMUJFWSA-N 1 2 321.373 1.711 20 10 DDCDLO CCOC(=O)C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1O ZINC000823581371 705271327 /nfs/dbraw/zinc/27/13/27/705271327.db2.gz HQEIJQCSUKIJID-CYBMUJFWSA-N 1 2 321.373 1.711 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824522136 705470126 /nfs/dbraw/zinc/47/01/26/705470126.db2.gz LUBHOZMVLJOPHY-LLVKDONJSA-N 1 2 313.195 1.995 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824522136 705470129 /nfs/dbraw/zinc/47/01/29/705470129.db2.gz LUBHOZMVLJOPHY-LLVKDONJSA-N 1 2 313.195 1.995 20 10 DDCDLO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(F)c(F)c1O ZINC000877021037 705961151 /nfs/dbraw/zinc/96/11/51/705961151.db2.gz MDLVRSGREHYZFO-UHFFFAOYSA-N 1 2 308.350 1.088 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccnn3C)CC2)c(OC)c1 ZINC000877708179 706184019 /nfs/dbraw/zinc/18/40/19/706184019.db2.gz CNYVHAYIDSNUFD-UHFFFAOYSA-N 1 2 316.405 1.760 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(F)cc1O ZINC000883335591 707978607 /nfs/dbraw/zinc/97/86/07/707978607.db2.gz WQTXCEXTSOLLIH-VIFPVBQESA-N 1 2 317.324 1.124 20 10 DDCDLO CCn1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000838905447 708000634 /nfs/dbraw/zinc/00/06/34/708000634.db2.gz ADEGKIBRFITTIG-UHFFFAOYSA-N 1 2 319.384 1.564 20 10 DDCDLO Oc1cccc(F)c1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000896640034 708105177 /nfs/dbraw/zinc/10/51/77/708105177.db2.gz FYVGNKOTNFANOS-LBPRGKRZSA-N 1 2 306.341 1.592 20 10 DDCDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c(O)c1OC ZINC000891923784 710329025 /nfs/dbraw/zinc/32/90/25/710329025.db2.gz IEEGNGPXBGNBRP-ZDUSSCGKSA-N 1 2 308.378 1.366 20 10 DDCDLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)c(O)c1OC ZINC000891923784 710329028 /nfs/dbraw/zinc/32/90/28/710329028.db2.gz IEEGNGPXBGNBRP-ZDUSSCGKSA-N 1 2 308.378 1.366 20 10 DDCDLO COc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c(O)c1OC ZINC000892040246 710358620 /nfs/dbraw/zinc/35/86/20/710358620.db2.gz ZEEISVOBIFOEIL-JTQLQIEISA-N 1 2 317.407 1.274 20 10 DDCDLO COc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c(O)c1OC ZINC000892040246 710358622 /nfs/dbraw/zinc/35/86/22/710358622.db2.gz ZEEISVOBIFOEIL-JTQLQIEISA-N 1 2 317.407 1.274 20 10 DDCDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccccc2O)[nH]n1 ZINC000896016278 711664757 /nfs/dbraw/zinc/66/47/57/711664757.db2.gz ZRSCNPOIPGPOIS-AWEZNQCLSA-N 1 2 300.362 1.812 20 10 DDCDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccccc2O)[nH]n1 ZINC000896016278 711664760 /nfs/dbraw/zinc/66/47/60/711664760.db2.gz ZRSCNPOIPGPOIS-AWEZNQCLSA-N 1 2 300.362 1.812 20 10 DDCDLO O=C(NCc1c(O)cccc1F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000922075863 713953865 /nfs/dbraw/zinc/95/38/65/713953865.db2.gz DYSCUEPNZCLJAQ-JTQLQIEISA-N 1 2 304.325 1.542 20 10 DDCDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000923891192 714485420 /nfs/dbraw/zinc/48/54/20/714485420.db2.gz DSENNOVCOZTMBB-GFCCVEGCSA-N 1 2 307.346 1.697 20 10 DDCDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000923891192 714485421 /nfs/dbraw/zinc/48/54/21/714485421.db2.gz DSENNOVCOZTMBB-GFCCVEGCSA-N 1 2 307.346 1.697 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC001142509159 742138389 /nfs/dbraw/zinc/13/83/89/742138389.db2.gz YZWNDLGEPDLDIE-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001204279256 742919280 /nfs/dbraw/zinc/91/92/80/742919280.db2.gz UCEOLWXUPATZNR-CLLJXQQHSA-N 1 2 307.346 1.250 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204279256 742919286 /nfs/dbraw/zinc/91/92/86/742919286.db2.gz UCEOLWXUPATZNR-CLLJXQQHSA-N 1 2 307.346 1.250 20 10 DDCDLO C/C(=C/C(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCOCC1 ZINC000820540552 758109284 /nfs/dbraw/zinc/10/92/84/758109284.db2.gz NMUXJRZMUQDNLS-WQLSENKSSA-N 1 2 324.808 1.940 20 10 DDCDLO C[N@@H+]1CCCn2nc(C(=O)NCc3ccccc3O)cc2C1 ZINC001175094165 777690866 /nfs/dbraw/zinc/69/08/66/777690866.db2.gz FPTIRXGGAIJKAA-UHFFFAOYSA-N 1 2 300.362 1.354 20 10 DDCDLO C[N@H+]1CCCn2nc(C(=O)NCc3ccccc3O)cc2C1 ZINC001175094165 777690867 /nfs/dbraw/zinc/69/08/67/777690867.db2.gz FPTIRXGGAIJKAA-UHFFFAOYSA-N 1 2 300.362 1.354 20 10 DDCDLO CC[C@H](C(=O)NCc1c(O)cccc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC001178912717 779226166 /nfs/dbraw/zinc/22/61/66/779226166.db2.gz WYUXVOQCSDTFBV-TZMCWYRMSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@H](C(=O)NCc1c(O)cccc1O)[N@H+]1CCO[C@H](CC)C1 ZINC001178912717 779226171 /nfs/dbraw/zinc/22/61/71/779226171.db2.gz WYUXVOQCSDTFBV-TZMCWYRMSA-N 1 2 322.405 1.603 20 10 DDCDLO Cc1cc(N(C(N)=[NH2+])C(=O)C=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC001180130496 779617170 /nfs/dbraw/zinc/61/71/70/779617170.db2.gz QYDKRIMVWSKLJR-RMKNXTFCSA-N 1 2 312.377 1.724 20 10 DDCDLO CN1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001274224704 852052771 /nfs/dbraw/zinc/05/27/71/852052771.db2.gz FDESCPJBPCXASE-UHFFFAOYSA-N 1 2 312.369 1.588 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354758 860071323 /nfs/dbraw/zinc/07/13/23/860071323.db2.gz SZMWNQAEONXLIX-INIZCTEOSA-N 1 2 304.390 1.443 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354758 860071328 /nfs/dbraw/zinc/07/13/28/860071328.db2.gz SZMWNQAEONXLIX-INIZCTEOSA-N 1 2 304.390 1.443 20 10 DDCDLO Oc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1O ZINC001158994849 865023109 /nfs/dbraw/zinc/02/31/09/865023109.db2.gz ZBDXMSABBCDWEQ-UHFFFAOYSA-N 1 2 302.334 1.337 20 10 DDCDLO Oc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1O ZINC001158994849 865023122 /nfs/dbraw/zinc/02/31/22/865023122.db2.gz ZBDXMSABBCDWEQ-UHFFFAOYSA-N 1 2 302.334 1.337 20 10 DDCDLO CCOC(=O)C1(F)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233012673 886724923 /nfs/dbraw/zinc/72/49/23/886724923.db2.gz MNYHDGKXXGPLFZ-UHFFFAOYSA-N 1 2 313.325 1.671 20 10 DDCDLO Cc1cccc(O)c1C[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001237484857 889662138 /nfs/dbraw/zinc/66/21/38/889662138.db2.gz IYRNNTSHHNYNCK-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO C[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237616438 889760726 /nfs/dbraw/zinc/76/07/26/889760726.db2.gz CSRFOZTYMYZDSH-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237616438 889760738 /nfs/dbraw/zinc/76/07/38/889760738.db2.gz CSRFOZTYMYZDSH-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO CCn1cnnc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273382131 130113720 /nfs/dbraw/zinc/11/37/20/130113720.db2.gz IMPGRDAMAKUKQC-JTQLQIEISA-N 1 2 304.350 1.641 20 10 DDCDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000185864480 407523240 /nfs/dbraw/zinc/52/32/40/407523240.db2.gz NCLJLZNUVSELOT-LBPRGKRZSA-N 1 2 315.373 1.926 20 10 DDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c1O ZINC000271870997 407734890 /nfs/dbraw/zinc/73/48/90/407734890.db2.gz SESLRWQPONGGKU-NSHDSACASA-N 1 2 312.797 1.379 20 10 DDCDLO C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000121971434 408244735 /nfs/dbraw/zinc/24/47/35/408244735.db2.gz BXKPZWUMQKNTNV-OAHLLOKOSA-N 1 2 318.465 1.347 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282881471 409069182 /nfs/dbraw/zinc/06/91/82/409069182.db2.gz YQAXBVCUCDLZIO-LLVKDONJSA-N 1 2 319.810 1.673 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282881471 409069184 /nfs/dbraw/zinc/06/91/84/409069184.db2.gz YQAXBVCUCDLZIO-LLVKDONJSA-N 1 2 319.810 1.673 20 10 DDCDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278291916 409078989 /nfs/dbraw/zinc/07/89/89/409078989.db2.gz UZGDMZPRBFGMEC-UHFFFAOYSA-N 1 2 312.322 1.692 20 10 DDCDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278291916 409078993 /nfs/dbraw/zinc/07/89/93/409078993.db2.gz UZGDMZPRBFGMEC-UHFFFAOYSA-N 1 2 312.322 1.692 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(N)n(C)n2)cc1 ZINC000295153631 409347131 /nfs/dbraw/zinc/34/71/31/409347131.db2.gz GIVPBPWAQHAIPL-AWEZNQCLSA-N 1 2 300.410 1.800 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nc(N)n(C)n2)cc1 ZINC000295153631 409347136 /nfs/dbraw/zinc/34/71/36/409347136.db2.gz GIVPBPWAQHAIPL-AWEZNQCLSA-N 1 2 300.410 1.800 20 10 DDCDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000373696512 418448887 /nfs/dbraw/zinc/44/88/87/418448887.db2.gz OJSXSHHLIKMJCC-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO CC(C)(O)c1cn(C2C[NH+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000374844714 418568998 /nfs/dbraw/zinc/56/89/98/418568998.db2.gz XSBYBHOQUKCWOX-UHFFFAOYSA-N 1 2 322.796 1.921 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000189566137 222048270 /nfs/dbraw/zinc/04/82/70/222048270.db2.gz WJMOHWLQYZBIJD-UHFFFAOYSA-N 1 2 313.357 1.845 20 10 DDCDLO CCOc1cccc(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)c1O ZINC000378342340 418721104 /nfs/dbraw/zinc/72/11/04/418721104.db2.gz OKFNWYOLGWDXGV-CHWSQXEVSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1cccc(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)c1O ZINC000378342340 418721106 /nfs/dbraw/zinc/72/11/06/418721106.db2.gz OKFNWYOLGWDXGV-CHWSQXEVSA-N 1 2 309.362 1.553 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000371529778 418796829 /nfs/dbraw/zinc/79/68/29/418796829.db2.gz VBHKKWFNMRHYDL-ZIAGYGMSSA-N 1 2 309.362 1.553 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(OC)ccc1O ZINC000371529778 418796831 /nfs/dbraw/zinc/79/68/31/418796831.db2.gz VBHKKWFNMRHYDL-ZIAGYGMSSA-N 1 2 309.362 1.553 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(=O)OC)C2)cc1 ZINC000093083267 696599045 /nfs/dbraw/zinc/59/90/45/696599045.db2.gz ATFSQIPYDPJNCR-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C(=O)OC)C2)cc1 ZINC000093083267 696599047 /nfs/dbraw/zinc/59/90/47/696599047.db2.gz ATFSQIPYDPJNCR-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160507984 697317554 /nfs/dbraw/zinc/31/75/54/697317554.db2.gz GHFPOAZJJNZQMV-UHFFFAOYSA-N 1 2 301.408 1.576 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160507984 697317557 /nfs/dbraw/zinc/31/75/57/697317557.db2.gz GHFPOAZJJNZQMV-UHFFFAOYSA-N 1 2 301.408 1.576 20 10 DDCDLO CN1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000715819663 699277206 /nfs/dbraw/zinc/27/72/06/699277206.db2.gz YQOORPRECOJVJL-SECBINFHSA-N 1 2 317.158 1.614 20 10 DDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000808211689 701507969 /nfs/dbraw/zinc/50/79/69/701507969.db2.gz DGYWNPLOUATITQ-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000808211689 701507970 /nfs/dbraw/zinc/50/79/70/701507970.db2.gz DGYWNPLOUATITQ-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844390475 703024378 /nfs/dbraw/zinc/02/43/78/703024378.db2.gz HROCOVILRLVDPL-PBHICJAKSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844390475 703024379 /nfs/dbraw/zinc/02/43/79/703024379.db2.gz HROCOVILRLVDPL-PBHICJAKSA-N 1 2 319.449 1.868 20 10 DDCDLO CCN1OC[C@H]([N@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000852211014 703969066 /nfs/dbraw/zinc/96/90/66/703969066.db2.gz FISCKSVOLOKQLE-HNNXBMFYSA-N 1 2 307.394 1.226 20 10 DDCDLO CCN1OC[C@H]([N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000852211014 703969068 /nfs/dbraw/zinc/96/90/68/703969068.db2.gz FISCKSVOLOKQLE-HNNXBMFYSA-N 1 2 307.394 1.226 20 10 DDCDLO CN1C(=O)CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000822520877 704966988 /nfs/dbraw/zinc/96/69/88/704966988.db2.gz QRAGOORYKXNBLU-JTQLQIEISA-N 1 2 300.717 1.422 20 10 DDCDLO Oc1c(Br)cccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000824624987 705495767 /nfs/dbraw/zinc/49/57/67/705495767.db2.gz DGAKOPVRYLUYOL-JTQLQIEISA-N 1 2 302.168 1.348 20 10 DDCDLO Oc1c(Br)cccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000824624987 705495765 /nfs/dbraw/zinc/49/57/65/705495765.db2.gz DGAKOPVRYLUYOL-JTQLQIEISA-N 1 2 302.168 1.348 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1Cl ZINC000824877483 705550000 /nfs/dbraw/zinc/55/00/00/705550000.db2.gz QSQZDWBSGSQASS-LLVKDONJSA-N 1 2 312.797 1.379 20 10 DDCDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462829 706114268 /nfs/dbraw/zinc/11/42/68/706114268.db2.gz VSXUCVKZJHCQDB-CQSZACIVSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462829 706114269 /nfs/dbraw/zinc/11/42/69/706114269.db2.gz VSXUCVKZJHCQDB-CQSZACIVSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)cc(F)c1O ZINC000834898130 707146652 /nfs/dbraw/zinc/14/66/52/707146652.db2.gz ZIVSCFNIERNXBW-MQOMDTIOSA-N 1 2 320.158 1.704 20 10 DDCDLO COc1ccc(C[NH+]2CC(N3CCCC3=O)C2)c(O)c1OC ZINC000897779798 708447408 /nfs/dbraw/zinc/44/74/08/708447408.db2.gz BFWAYQVYMMYVTE-UHFFFAOYSA-N 1 2 306.362 1.216 20 10 DDCDLO CCc1cccc(C[NH+]2CC(n3cc(C(C)=O)nn3)C2)c1O ZINC000897940760 708500315 /nfs/dbraw/zinc/50/03/15/708500315.db2.gz ZYHTXNRDMXUWMZ-UHFFFAOYSA-N 1 2 300.362 1.806 20 10 DDCDLO O=C(Cc1c[nH+]c[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901176255 709956397 /nfs/dbraw/zinc/95/63/97/709956397.db2.gz OWMOGUDQYHCWAY-OAHLLOKOSA-N 1 2 315.373 1.866 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNc1cccc[nH+]1 ZINC000907274381 712530231 /nfs/dbraw/zinc/53/02/31/712530231.db2.gz PXMIGFZWEPRZTO-NSHDSACASA-N 1 2 301.346 1.652 20 10 DDCDLO COc1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)c2ccccn2)c1O ZINC001181958877 743411492 /nfs/dbraw/zinc/41/14/92/743411492.db2.gz RIKUPKPZFCCHGN-CYBMUJFWSA-N 1 2 321.764 1.765 20 10 DDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001119152689 781336741 /nfs/dbraw/zinc/33/67/41/781336741.db2.gz OOODWXCLNNTJOI-OAHLLOKOSA-N 1 2 323.400 1.683 20 10 DDCDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC001119198187 781355672 /nfs/dbraw/zinc/35/56/72/781355672.db2.gz ODICZBBCBDDRAQ-CYBMUJFWSA-N 1 2 318.421 1.053 20 10 DDCDLO C[NH+]1CCN(c2ccc(CNCc3ccno3)cc2F)CC1 ZINC001329506800 863701772 /nfs/dbraw/zinc/70/17/72/863701772.db2.gz LBVRLDKUWIBQMF-UHFFFAOYSA-N 1 2 304.369 1.855 20 10 DDCDLO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(F)cc1O ZINC001331972736 865473618 /nfs/dbraw/zinc/47/36/18/865473618.db2.gz NVSQJSNYIKGIDV-VIFPVBQESA-N 1 2 319.336 1.950 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204326537 871056901 /nfs/dbraw/zinc/05/69/01/871056901.db2.gz ZOXFWYSUYVYYDS-INIZCTEOSA-N 1 2 304.390 1.661 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204326537 871056920 /nfs/dbraw/zinc/05/69/20/871056920.db2.gz ZOXFWYSUYVYYDS-INIZCTEOSA-N 1 2 304.390 1.661 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC001308673711 871518539 /nfs/dbraw/zinc/51/85/39/871518539.db2.gz CCEZQIZFTYVLOK-UHFFFAOYSA-N 1 2 324.306 1.922 20 10 DDCDLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016096 886731142 /nfs/dbraw/zinc/73/11/42/886731142.db2.gz MKMAWUMQMZUGQI-LBPRGKRZSA-N 1 2 323.393 1.475 20 10 DDCDLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016096 886731160 /nfs/dbraw/zinc/73/11/60/886731160.db2.gz MKMAWUMQMZUGQI-LBPRGKRZSA-N 1 2 323.393 1.475 20 10 DDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@H](O)CO ZINC001235057678 888380158 /nfs/dbraw/zinc/38/01/58/888380158.db2.gz AKOKEDNPPPDTQB-VIFPVBQESA-N 1 2 308.147 1.079 20 10 DDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@H](O)CO ZINC001235057678 888380139 /nfs/dbraw/zinc/38/01/39/888380139.db2.gz AKOKEDNPPPDTQB-VIFPVBQESA-N 1 2 308.147 1.079 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1Cl ZINC001236801182 889360633 /nfs/dbraw/zinc/36/06/33/889360633.db2.gz HBOIYMBXHUZPGZ-QWRGUYRKSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1Cl ZINC001236801182 889360647 /nfs/dbraw/zinc/36/06/47/889360647.db2.gz HBOIYMBXHUZPGZ-QWRGUYRKSA-N 1 2 301.770 1.229 20 10 DDCDLO COC(=O)[C@@H](O)C[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252420602 895131562 /nfs/dbraw/zinc/13/15/62/895131562.db2.gz RFJSZEVKOQKUIR-INIZCTEOSA-N 1 2 318.373 1.079 20 10 DDCDLO COC(=O)[C@@H](O)C[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252420602 895131567 /nfs/dbraw/zinc/13/15/67/895131567.db2.gz RFJSZEVKOQKUIR-INIZCTEOSA-N 1 2 318.373 1.079 20 10 DDCDLO COc1ccc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC000074727048 185013417 /nfs/dbraw/zinc/01/34/17/185013417.db2.gz UEODNXLRUNPUPR-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO COc1ccc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC000074727048 185013418 /nfs/dbraw/zinc/01/34/18/185013418.db2.gz UEODNXLRUNPUPR-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1O ZINC000276269376 299309839 /nfs/dbraw/zinc/30/98/39/299309839.db2.gz ZEWWCMZNOJZUHR-IUCAKERBSA-N 1 2 305.346 1.756 20 10 DDCDLO Nc1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000062460467 184238056 /nfs/dbraw/zinc/23/80/56/184238056.db2.gz WDXFWGBGVKAJDD-UHFFFAOYSA-N 1 2 311.389 1.425 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000051474613 407139905 /nfs/dbraw/zinc/13/99/05/407139905.db2.gz VSMPNVRIPTWJMN-HUUCEWRRSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000051474613 407139908 /nfs/dbraw/zinc/13/99/08/407139908.db2.gz VSMPNVRIPTWJMN-HUUCEWRRSA-N 1 2 319.449 1.820 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000126072237 407404417 /nfs/dbraw/zinc/40/44/17/407404417.db2.gz MNBBGDQDQJMTFF-GWNMQOMSSA-N 1 2 301.383 1.933 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000126072237 407404419 /nfs/dbraw/zinc/40/44/19/407404419.db2.gz MNBBGDQDQJMTFF-GWNMQOMSSA-N 1 2 301.383 1.933 20 10 DDCDLO C[C@H]1OCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000178591421 407501951 /nfs/dbraw/zinc/50/19/51/407501951.db2.gz SBKITRQVGAQIAC-LSDHHAIUSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@H]1OCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000178591421 407501953 /nfs/dbraw/zinc/50/19/53/407501953.db2.gz SBKITRQVGAQIAC-LSDHHAIUSA-N 1 2 319.449 1.820 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)OC)c(O)c1 ZINC000271174907 407555394 /nfs/dbraw/zinc/55/53/94/407555394.db2.gz SWZGMGGSVYJFKW-OCCSQVGLSA-N 1 2 309.362 1.289 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)OC)c(O)c1 ZINC000271174907 407555399 /nfs/dbraw/zinc/55/53/99/407555399.db2.gz SWZGMGGSVYJFKW-OCCSQVGLSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271116679 407523766 /nfs/dbraw/zinc/52/37/66/407523766.db2.gz WLPQOJKCRUYDSA-UHFFFAOYSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271116679 407523770 /nfs/dbraw/zinc/52/37/70/407523770.db2.gz WLPQOJKCRUYDSA-UHFFFAOYSA-N 1 2 309.362 1.937 20 10 DDCDLO COCC[N@H+](CC(=O)N(C)C)Cc1cccc(Cl)c1O ZINC000179751585 407828441 /nfs/dbraw/zinc/82/84/41/407828441.db2.gz HHLWPMJPWWSZSP-UHFFFAOYSA-N 1 2 300.786 1.582 20 10 DDCDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cccc(Cl)c1O ZINC000179751585 407828445 /nfs/dbraw/zinc/82/84/45/407828445.db2.gz HHLWPMJPWWSZSP-UHFFFAOYSA-N 1 2 300.786 1.582 20 10 DDCDLO Cn1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000293735507 409171088 /nfs/dbraw/zinc/17/10/88/409171088.db2.gz ZRPBQDMPQYJUFV-UHFFFAOYSA-N 1 2 319.384 1.205 20 10 DDCDLO COc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC000373666726 418445083 /nfs/dbraw/zinc/44/50/83/418445083.db2.gz HGNPCPOAPWBFKP-LBPRGKRZSA-N 1 2 301.346 1.476 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000900 337083668 /nfs/dbraw/zinc/08/36/68/337083668.db2.gz UGOHSSQFXUBGBM-VXGBXAGGSA-N 1 2 323.345 1.273 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000900 337083669 /nfs/dbraw/zinc/08/36/69/337083669.db2.gz UGOHSSQFXUBGBM-VXGBXAGGSA-N 1 2 323.345 1.273 20 10 DDCDLO COC(=O)C[N@H+](CCN1CCOCC1)Cc1cccc(C)c1O ZINC000180182046 523162171 /nfs/dbraw/zinc/16/21/71/523162171.db2.gz WYMPNBYOJDVMGS-UHFFFAOYSA-N 1 2 322.405 1.008 20 10 DDCDLO COC(=O)C[N@@H+](CCN1CCOCC1)Cc1cccc(C)c1O ZINC000180182046 523162177 /nfs/dbraw/zinc/16/21/77/523162177.db2.gz WYMPNBYOJDVMGS-UHFFFAOYSA-N 1 2 322.405 1.008 20 10 DDCDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cccc(C)c1O ZINC000180182046 523162184 /nfs/dbraw/zinc/16/21/84/523162184.db2.gz WYMPNBYOJDVMGS-UHFFFAOYSA-N 1 2 322.405 1.008 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc1F ZINC000122102464 696718527 /nfs/dbraw/zinc/71/85/27/696718527.db2.gz IGEZAPAYHPAYSX-UHFFFAOYSA-N 1 2 307.369 1.235 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)C3CC3)CC2)cc1 ZINC000064030695 696334348 /nfs/dbraw/zinc/33/43/48/696334348.db2.gz QDHWCCHFVXETST-UHFFFAOYSA-N 1 2 303.406 1.438 20 10 DDCDLO Cn1ccnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124028 696391612 /nfs/dbraw/zinc/39/16/12/696391612.db2.gz FVMPWUHKMKOHIV-UHFFFAOYSA-N 1 2 300.406 1.889 20 10 DDCDLO Cn1ccnc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124028 696391614 /nfs/dbraw/zinc/39/16/14/696391614.db2.gz FVMPWUHKMKOHIV-UHFFFAOYSA-N 1 2 300.406 1.889 20 10 DDCDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000075582598 696421979 /nfs/dbraw/zinc/42/19/79/696421979.db2.gz FNPOSVDQNUIYNV-UHFFFAOYSA-N 1 2 320.389 1.811 20 10 DDCDLO CC(C)[N@H+](CC(N)=O)Cc1c(O)cccc1Br ZINC000707162373 699245634 /nfs/dbraw/zinc/24/56/34/699245634.db2.gz ARWBPXDSLBGMBT-UHFFFAOYSA-N 1 2 301.184 1.850 20 10 DDCDLO CC(C)[N@@H+](CC(N)=O)Cc1c(O)cccc1Br ZINC000707162373 699245638 /nfs/dbraw/zinc/24/56/38/699245638.db2.gz ARWBPXDSLBGMBT-UHFFFAOYSA-N 1 2 301.184 1.850 20 10 DDCDLO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715748033 699276717 /nfs/dbraw/zinc/27/67/17/699276717.db2.gz YQDHHBAJXFYECY-LDWIPMOCSA-N 1 2 308.147 1.125 20 10 DDCDLO Cn1cnnc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715815018 699277291 /nfs/dbraw/zinc/27/72/91/699277291.db2.gz WPOKTHOQKBZXAL-UHFFFAOYSA-N 1 2 315.146 1.712 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)cc1F ZINC000766913441 701070880 /nfs/dbraw/zinc/07/08/80/701070880.db2.gz MFBMOTLJCFHUQV-CQSZACIVSA-N 1 2 307.369 1.235 20 10 DDCDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839531823 701727362 /nfs/dbraw/zinc/72/73/62/701727362.db2.gz HRZXIBGKHGPYLS-SFHVURJKSA-N 1 2 319.449 1.870 20 10 DDCDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839531823 701727369 /nfs/dbraw/zinc/72/73/69/701727369.db2.gz HRZXIBGKHGPYLS-SFHVURJKSA-N 1 2 319.449 1.870 20 10 DDCDLO CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(N)cc1 ZINC000877075830 705977544 /nfs/dbraw/zinc/97/75/44/705977544.db2.gz JDSIFWIAVSCAPE-INIZCTEOSA-N 1 2 303.406 1.875 20 10 DDCDLO CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(N)cc1 ZINC000877075830 705977547 /nfs/dbraw/zinc/97/75/47/705977547.db2.gz JDSIFWIAVSCAPE-INIZCTEOSA-N 1 2 303.406 1.875 20 10 DDCDLO OC1CCN(c2ccc(C[N@@H+]3CCc4nn[nH]c4C3)cc2)CC1 ZINC000877642357 706167690 /nfs/dbraw/zinc/16/76/90/706167690.db2.gz VWUKFHDSQHMGCC-UHFFFAOYSA-N 1 2 313.405 1.324 20 10 DDCDLO OC1CCN(c2ccc(C[N@H+]3CCc4nn[nH]c4C3)cc2)CC1 ZINC000877642357 706167691 /nfs/dbraw/zinc/16/76/91/706167691.db2.gz VWUKFHDSQHMGCC-UHFFFAOYSA-N 1 2 313.405 1.324 20 10 DDCDLO CN(C)c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1F ZINC000865051731 706336626 /nfs/dbraw/zinc/33/66/26/706336626.db2.gz UCTDXMOOTWCMAH-ARJAWSKDSA-N 1 2 321.396 1.396 20 10 DDCDLO CCO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000926961480 712923325 /nfs/dbraw/zinc/92/33/25/712923325.db2.gz PFBAMEOMSIWLRT-AAEUAGOBSA-N 1 2 311.382 1.918 20 10 DDCDLO CNC(=O)N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026835 707157943 /nfs/dbraw/zinc/15/79/43/707157943.db2.gz XRKMPPHNVGYKCI-SNAWJCMRSA-N 1 2 302.422 1.723 20 10 DDCDLO CN1CCN(Cc2cc(Cl)cc(F)c2O)CC[N@H+](C)CC1 ZINC000897855864 708471191 /nfs/dbraw/zinc/47/11/91/708471191.db2.gz IMYKCFUEVOYYBV-UHFFFAOYSA-N 1 2 315.820 1.864 20 10 DDCDLO CN1CCN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+](C)CC1 ZINC000897855864 708471192 /nfs/dbraw/zinc/47/11/92/708471192.db2.gz IMYKCFUEVOYYBV-UHFFFAOYSA-N 1 2 315.820 1.864 20 10 DDCDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1c(F)ccc(O)c1O ZINC000898498344 708659451 /nfs/dbraw/zinc/65/94/51/708659451.db2.gz ISJPVGMXGOUKFD-VIFPVBQESA-N 1 2 300.305 1.401 20 10 DDCDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1c(F)ccc(O)c1O ZINC000898498344 708659452 /nfs/dbraw/zinc/65/94/52/708659452.db2.gz ISJPVGMXGOUKFD-VIFPVBQESA-N 1 2 300.305 1.401 20 10 DDCDLO O=C1NCCN1CC[NH2+]Cc1cccc(Br)c1O ZINC000886324322 708743302 /nfs/dbraw/zinc/74/33/02/708743302.db2.gz JDDMTQACZYAOBZ-UHFFFAOYSA-N 1 2 314.183 1.270 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(O)cc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC000910945483 710126650 /nfs/dbraw/zinc/12/66/50/710126650.db2.gz AQDHGBWCVMPOMI-CABCVRRESA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(O)cc1O)[N@H+]1CCO[C@H](CC)C1 ZINC000910945483 710126655 /nfs/dbraw/zinc/12/66/55/710126655.db2.gz AQDHGBWCVMPOMI-CABCVRRESA-N 1 2 322.405 1.603 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168067285 741166739 /nfs/dbraw/zinc/16/67/39/741166739.db2.gz SVFWDSYUQRBFHP-WXHSDQCUSA-N 1 2 309.362 1.339 20 10 DDCDLO CC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)CCO1 ZINC001170159674 765961439 /nfs/dbraw/zinc/96/14/39/765961439.db2.gz BGMNEJPEGAXVHA-MJBXVCDLSA-N 1 2 323.389 1.729 20 10 DDCDLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137836032 859984081 /nfs/dbraw/zinc/98/40/81/859984081.db2.gz SRVKYKWLKFWWOL-QGZVFWFLSA-N 1 2 322.380 1.745 20 10 DDCDLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137836032 859984086 /nfs/dbraw/zinc/98/40/86/859984086.db2.gz SRVKYKWLKFWWOL-QGZVFWFLSA-N 1 2 322.380 1.745 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC2(C1)OCCO2 ZINC001139129028 860298449 /nfs/dbraw/zinc/29/84/49/860298449.db2.gz LHMXUMICNYIKGL-UHFFFAOYSA-N 1 2 317.341 1.756 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC2(C1)OCCO2 ZINC001139129028 860298456 /nfs/dbraw/zinc/29/84/56/860298456.db2.gz LHMXUMICNYIKGL-UHFFFAOYSA-N 1 2 317.341 1.756 20 10 DDCDLO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(F)ccc(F)c3O)C[C@@H]2C1 ZINC001139685461 860451733 /nfs/dbraw/zinc/45/17/33/860451733.db2.gz ZGEHKFVSFRLLPN-XHDPSFHLSA-N 1 2 312.360 1.823 20 10 DDCDLO CC[N@H+]1CCO[C@@H]2CN(Cc3c(F)ccc(F)c3O)C[C@@H]2C1 ZINC001139685461 860451740 /nfs/dbraw/zinc/45/17/40/860451740.db2.gz ZGEHKFVSFRLLPN-XHDPSFHLSA-N 1 2 312.360 1.823 20 10 DDCDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141026177 860765036 /nfs/dbraw/zinc/76/50/36/860765036.db2.gz HCLVXIDAISAYFQ-MRXNPFEDSA-N 1 2 309.362 1.937 20 10 DDCDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141026177 860765040 /nfs/dbraw/zinc/76/50/40/860765040.db2.gz HCLVXIDAISAYFQ-MRXNPFEDSA-N 1 2 309.362 1.937 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CCN4C(=O)OC[C@H]4C3)ccc21 ZINC001141143923 860794544 /nfs/dbraw/zinc/79/45/44/860794544.db2.gz NUEKCXMKYLLRRP-CYBMUJFWSA-N 1 2 303.362 1.152 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CCN4C(=O)OC[C@H]4C3)ccc21 ZINC001141143923 860794546 /nfs/dbraw/zinc/79/45/46/860794546.db2.gz NUEKCXMKYLLRRP-CYBMUJFWSA-N 1 2 303.362 1.152 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145299 860795203 /nfs/dbraw/zinc/79/52/03/860795203.db2.gz SXUZHWGAOSFORY-AWEZNQCLSA-N 1 2 320.389 1.279 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145299 860795208 /nfs/dbraw/zinc/79/52/08/860795208.db2.gz SXUZHWGAOSFORY-AWEZNQCLSA-N 1 2 320.389 1.279 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1F ZINC001331505396 865121897 /nfs/dbraw/zinc/12/18/97/865121897.db2.gz SXTNKRULSPUHHO-AWEZNQCLSA-N 1 2 310.348 1.588 20 10 DDCDLO COc1cc(C[NH+]2CCN(c3ccncn3)CC2)cc(O)c1O ZINC001204346763 871069258 /nfs/dbraw/zinc/06/92/58/871069258.db2.gz YVFNNPBTJFMYFZ-UHFFFAOYSA-N 1 2 316.361 1.219 20 10 DDCDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cccc(F)c1O)C2 ZINC001276539141 873356309 /nfs/dbraw/zinc/35/63/09/873356309.db2.gz OQGSLKVWNLRJHB-UHFFFAOYSA-N 1 2 307.369 1.767 20 10 DDCDLO CN1CCO[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]21 ZINC001276837309 880693015 /nfs/dbraw/zinc/69/30/15/880693015.db2.gz IZERQORLLUAZDY-AAEUAGOBSA-N 1 2 300.761 1.700 20 10 DDCDLO CN1CCO[C@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]21 ZINC001276837309 880693002 /nfs/dbraw/zinc/69/30/02/880693002.db2.gz IZERQORLLUAZDY-AAEUAGOBSA-N 1 2 300.761 1.700 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277484162 885186710 /nfs/dbraw/zinc/18/67/10/885186710.db2.gz KRDSPKCGHWUESY-HWPZZCPQSA-N 1 2 316.336 1.858 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277484162 885186716 /nfs/dbraw/zinc/18/67/16/885186716.db2.gz KRDSPKCGHWUESY-HWPZZCPQSA-N 1 2 316.336 1.858 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)C3CCC3)CC2)c(O)cc1O ZINC001231637387 885775879 /nfs/dbraw/zinc/77/58/79/885775879.db2.gz LQCVRAOPECCOPY-UHFFFAOYSA-N 1 2 320.389 1.551 20 10 DDCDLO COc1ncnc2c1CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485756 887018864 /nfs/dbraw/zinc/01/88/64/887018864.db2.gz JUOSRZBKEFYZEO-UHFFFAOYSA-N 1 2 303.318 1.160 20 10 DDCDLO COc1ncnc2c1CC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485756 887018877 /nfs/dbraw/zinc/01/88/77/887018877.db2.gz JUOSRZBKEFYZEO-UHFFFAOYSA-N 1 2 303.318 1.160 20 10 DDCDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CC)CC2)c(O)c1 ZINC001236792353 889355479 /nfs/dbraw/zinc/35/54/79/889355479.db2.gz QBLLOGQAIVVLFD-UHFFFAOYSA-N 1 2 312.435 1.422 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811628 889367309 /nfs/dbraw/zinc/36/73/09/889367309.db2.gz UEDFRLPPRUSQSJ-HNNXBMFYSA-N 1 2 309.362 1.473 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811628 889367315 /nfs/dbraw/zinc/36/73/15/889367315.db2.gz UEDFRLPPRUSQSJ-HNNXBMFYSA-N 1 2 309.362 1.473 20 10 DDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061006 889487157 /nfs/dbraw/zinc/48/71/57/889487157.db2.gz ZPTYHPPVCJZWNW-SECBINFHSA-N 1 2 318.295 1.654 20 10 DDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061006 889487165 /nfs/dbraw/zinc/48/71/65/889487165.db2.gz ZPTYHPPVCJZWNW-SECBINFHSA-N 1 2 318.295 1.654 20 10 DDCDLO CN1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1=O ZINC001249224212 893877968 /nfs/dbraw/zinc/87/79/68/893877968.db2.gz VADBUNIFVCOENK-UHFFFAOYSA-N 1 2 302.374 1.850 20 10 DDCDLO CN1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1=O ZINC001249224212 893877989 /nfs/dbraw/zinc/87/79/89/893877989.db2.gz VADBUNIFVCOENK-UHFFFAOYSA-N 1 2 302.374 1.850 20 10 DDCDLO O=C(c1cccnc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272212840 130008935 /nfs/dbraw/zinc/00/89/35/130008935.db2.gz ARPMGOROQODZAZ-UHFFFAOYSA-N 1 2 315.348 1.884 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)cc1F ZINC000283150578 130964286 /nfs/dbraw/zinc/96/42/86/130964286.db2.gz JRGJNNBPPGAMID-UHFFFAOYSA-N 1 2 323.412 1.619 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000026875798 406906630 /nfs/dbraw/zinc/90/66/30/406906630.db2.gz QKFUQFHZRTZAKW-UHFFFAOYSA-N 1 2 315.421 1.234 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000026875798 406906631 /nfs/dbraw/zinc/90/66/31/406906631.db2.gz QKFUQFHZRTZAKW-UHFFFAOYSA-N 1 2 315.421 1.234 20 10 DDCDLO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000186579011 407711155 /nfs/dbraw/zinc/71/11/55/407711155.db2.gz JHXWCXDRMMRYPP-GDBMZVCRSA-N 1 2 324.377 1.956 20 10 DDCDLO CN(C)C(=O)CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272331293 407869368 /nfs/dbraw/zinc/86/93/68/407869368.db2.gz WMZGXEUWRHTICO-UHFFFAOYSA-N 1 2 309.385 1.127 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278289224 409079321 /nfs/dbraw/zinc/07/93/21/409079321.db2.gz UUFVVOXMFQCCCJ-LLVKDONJSA-N 1 2 312.322 1.156 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278289224 409079324 /nfs/dbraw/zinc/07/93/24/409079324.db2.gz UUFVVOXMFQCCCJ-LLVKDONJSA-N 1 2 312.322 1.156 20 10 DDCDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000361069261 418577816 /nfs/dbraw/zinc/57/78/16/418577816.db2.gz SIXJICIPJYFWNN-LBPRGKRZSA-N 1 2 316.398 1.433 20 10 DDCDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000361069261 418577820 /nfs/dbraw/zinc/57/78/20/418577820.db2.gz SIXJICIPJYFWNN-LBPRGKRZSA-N 1 2 316.398 1.433 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3ncccc3C2)cc1 ZINC000368336462 418719061 /nfs/dbraw/zinc/71/90/61/418719061.db2.gz NZBCVNIABRVQIE-UHFFFAOYSA-N 1 2 324.428 1.822 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3ncccc3C2)cc1 ZINC000368336462 418719063 /nfs/dbraw/zinc/71/90/63/418719063.db2.gz NZBCVNIABRVQIE-UHFFFAOYSA-N 1 2 324.428 1.822 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000378343734 418721298 /nfs/dbraw/zinc/72/12/98/418721298.db2.gz WHNRULJGHMGIQZ-WFASDCNBSA-N 1 2 310.369 1.654 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000378343734 418721300 /nfs/dbraw/zinc/72/13/00/418721300.db2.gz WHNRULJGHMGIQZ-WFASDCNBSA-N 1 2 310.369 1.654 20 10 DDCDLO COc1c(O)c(C[N@H+](C)[C@@H]2CCCCNC2=O)ccc1[N+](=O)[O-] ZINC000369321614 418732276 /nfs/dbraw/zinc/73/22/76/418732276.db2.gz KVJOEGVJYKOLDH-GFCCVEGCSA-N 1 2 323.349 1.410 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCCNC2=O)ccc1[N+](=O)[O-] ZINC000369321614 418732279 /nfs/dbraw/zinc/73/22/79/418732279.db2.gz KVJOEGVJYKOLDH-GFCCVEGCSA-N 1 2 323.349 1.410 20 10 DDCDLO CCN(CC)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC)cc1 ZINC000378445939 418723490 /nfs/dbraw/zinc/72/34/90/418723490.db2.gz WXXVVNGVEICSKM-QGZVFWFLSA-N 1 2 319.449 1.870 20 10 DDCDLO CCN(CC)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC)cc1 ZINC000378445939 418723493 /nfs/dbraw/zinc/72/34/93/418723493.db2.gz WXXVVNGVEICSKM-QGZVFWFLSA-N 1 2 319.449 1.870 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCN(C)C(=O)C2(C)C)ccc1[N+](=O)[O-] ZINC000278153885 277364999 /nfs/dbraw/zinc/36/49/99/277364999.db2.gz CRAQZXBSQIVCMO-UHFFFAOYSA-N 1 2 323.349 1.362 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCN(C)C(=O)C2(C)C)ccc1[N+](=O)[O-] ZINC000278153885 277365000 /nfs/dbraw/zinc/36/50/00/277365000.db2.gz CRAQZXBSQIVCMO-UHFFFAOYSA-N 1 2 323.349 1.362 20 10 DDCDLO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270988260 279236364 /nfs/dbraw/zinc/23/63/64/279236364.db2.gz GMSFAWVSMDWEPR-CYBMUJFWSA-N 1 2 314.426 1.901 20 10 DDCDLO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270988260 279236365 /nfs/dbraw/zinc/23/63/65/279236365.db2.gz GMSFAWVSMDWEPR-CYBMUJFWSA-N 1 2 314.426 1.901 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)cc1F ZINC000182484717 520892362 /nfs/dbraw/zinc/89/23/62/520892362.db2.gz XTAGEJFEKYHBIU-MRXNPFEDSA-N 1 2 323.412 1.619 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)cc1F ZINC000182484717 520892370 /nfs/dbraw/zinc/89/23/70/520892370.db2.gz XTAGEJFEKYHBIU-MRXNPFEDSA-N 1 2 323.412 1.619 20 10 DDCDLO CN(C)c1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157585361 522171630 /nfs/dbraw/zinc/17/16/30/522171630.db2.gz XLDZPPHYVOTMIV-LBPRGKRZSA-N 1 2 300.399 1.511 20 10 DDCDLO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157585361 522171646 /nfs/dbraw/zinc/17/16/46/522171646.db2.gz XLDZPPHYVOTMIV-LBPRGKRZSA-N 1 2 300.399 1.511 20 10 DDCDLO CCc1nnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000157512646 522289125 /nfs/dbraw/zinc/28/91/25/522289125.db2.gz MTVMXTRFQYNWJE-UHFFFAOYSA-N 1 2 315.421 1.836 20 10 DDCDLO CCc1nnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000157512646 522289131 /nfs/dbraw/zinc/28/91/31/522289131.db2.gz MTVMXTRFQYNWJE-UHFFFAOYSA-N 1 2 315.421 1.836 20 10 DDCDLO CN(C)C(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000132123131 696811558 /nfs/dbraw/zinc/81/15/58/696811558.db2.gz VLDGVMJOIQVNDN-UHFFFAOYSA-N 1 2 301.184 1.675 20 10 DDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000132123131 696811561 /nfs/dbraw/zinc/81/15/61/696811561.db2.gz VLDGVMJOIQVNDN-UHFFFAOYSA-N 1 2 301.184 1.675 20 10 DDCDLO O=C1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCN1 ZINC000195089211 697730804 /nfs/dbraw/zinc/73/08/04/697730804.db2.gz POFLAOVHPCNVGG-UHFFFAOYSA-N 1 2 300.358 1.949 20 10 DDCDLO O=C1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCN1 ZINC000195089211 697730806 /nfs/dbraw/zinc/73/08/06/697730806.db2.gz POFLAOVHPCNVGG-UHFFFAOYSA-N 1 2 300.358 1.949 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774147742 697848407 /nfs/dbraw/zinc/84/84/07/697848407.db2.gz FCPATJZMSCRFHI-UHFFFAOYSA-N 1 2 324.340 1.637 20 10 DDCDLO O=S1(=O)CCC(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000776251951 698087803 /nfs/dbraw/zinc/08/78/03/698087803.db2.gz DSHJCNYJJYSQCH-UHFFFAOYSA-N 1 2 303.811 1.960 20 10 DDCDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778995599 698389360 /nfs/dbraw/zinc/38/93/60/698389360.db2.gz ZRWMUKGTYSWDGQ-UHFFFAOYSA-N 1 2 317.364 1.828 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(Br)cc1O ZINC000787029804 699186413 /nfs/dbraw/zinc/18/64/13/699186413.db2.gz HYQWUWVULADTQW-SSDOTTSWSA-N 1 2 312.171 1.529 20 10 DDCDLO C[C@H](O)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055988 699248487 /nfs/dbraw/zinc/24/84/87/699248487.db2.gz HYBYURCRYUSBPC-QUBYGPBYSA-N 1 2 324.602 1.639 20 10 DDCDLO Cc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)ccc1N(C)C ZINC000815071640 701793230 /nfs/dbraw/zinc/79/32/30/701793230.db2.gz OLIMKBQFHXIYIQ-JOCHJYFZSA-N 1 2 323.506 1.557 20 10 DDCDLO COC(=O)C[N@H+](CC[C@@H](C)O)Cc1cc(Cl)ccc1O ZINC000828293613 706155876 /nfs/dbraw/zinc/15/58/76/706155876.db2.gz PTEAFOLFAYMFRG-SNVBAGLBSA-N 1 2 301.770 1.792 20 10 DDCDLO COC(=O)C[N@@H+](CC[C@@H](C)O)Cc1cc(Cl)ccc1O ZINC000828293613 706155878 /nfs/dbraw/zinc/15/58/78/706155878.db2.gz PTEAFOLFAYMFRG-SNVBAGLBSA-N 1 2 301.770 1.792 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608702 706158360 /nfs/dbraw/zinc/15/83/60/706158360.db2.gz VCCSRCAOABPJJE-VHSXEESVSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608702 706158362 /nfs/dbraw/zinc/15/83/62/706158362.db2.gz VCCSRCAOABPJJE-VHSXEESVSA-N 1 2 301.289 1.026 20 10 DDCDLO CN(C)c1ccc(CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C2CC2)cc1 ZINC000864785526 706262861 /nfs/dbraw/zinc/26/28/61/706262861.db2.gz FLHDGSKASXKTLI-MRXNPFEDSA-N 1 2 314.389 1.700 20 10 DDCDLO CON(C)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883171284 707946618 /nfs/dbraw/zinc/94/66/18/707946618.db2.gz UKXNDBYLOPVXDZ-UHFFFAOYSA-N 1 2 307.163 1.877 20 10 DDCDLO CCn1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449443 708643809 /nfs/dbraw/zinc/64/38/09/708643809.db2.gz FUIWNEYMTONPJC-KRWDZBQOSA-N 1 2 316.453 1.757 20 10 DDCDLO O=C(Cc1c[nH+]c[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901176247 709956012 /nfs/dbraw/zinc/95/60/12/709956012.db2.gz OWMOGUDQYHCWAY-HNNXBMFYSA-N 1 2 315.373 1.866 20 10 DDCDLO C[C@@H](C(=O)NCc1cccc(Cl)c1O)N1CC[NH+](C)CC1 ZINC000890759441 709979033 /nfs/dbraw/zinc/97/90/33/709979033.db2.gz BOILEUYBLICOEN-NSHDSACASA-N 1 2 311.813 1.298 20 10 DDCDLO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000895764073 711599160 /nfs/dbraw/zinc/59/91/60/711599160.db2.gz DZQJIEJOMSNTGI-CYBMUJFWSA-N 1 2 312.316 1.055 20 10 DDCDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c(O)cccc2F)[nH]n1 ZINC000928706669 713468703 /nfs/dbraw/zinc/46/87/03/713468703.db2.gz UPJQJLVOPFGTPY-CQSZACIVSA-N 1 2 318.352 1.951 20 10 DDCDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c(O)cccc2F)[nH]n1 ZINC000928706669 713468704 /nfs/dbraw/zinc/46/87/04/713468704.db2.gz UPJQJLVOPFGTPY-CQSZACIVSA-N 1 2 318.352 1.951 20 10 DDCDLO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc(OC)n1 ZINC001007792848 752356141 /nfs/dbraw/zinc/35/61/41/752356141.db2.gz QQUFHLACBUTFSY-GFCCVEGCSA-N 1 2 311.357 1.263 20 10 DDCDLO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc(OC)n1 ZINC001007792848 752356149 /nfs/dbraw/zinc/35/61/49/752356149.db2.gz QQUFHLACBUTFSY-GFCCVEGCSA-N 1 2 311.357 1.263 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)C[C@@H]1O ZINC001144298987 772471720 /nfs/dbraw/zinc/47/17/20/772471720.db2.gz NZBOKCMXUGMAID-PELKAZGASA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)C[C@@H]1O ZINC001144298987 772471724 /nfs/dbraw/zinc/47/17/24/772471724.db2.gz NZBOKCMXUGMAID-PELKAZGASA-N 1 2 320.158 1.079 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001144515343 772558247 /nfs/dbraw/zinc/55/82/47/772558247.db2.gz KLICBDOWAKCJCC-AWEZNQCLSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001144515343 772558251 /nfs/dbraw/zinc/55/82/51/772558251.db2.gz KLICBDOWAKCJCC-AWEZNQCLSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCc3nc(Cl)ncc3C2)c(O)c1 ZINC001144514412 772558452 /nfs/dbraw/zinc/55/84/52/772558452.db2.gz CBCDZGPGXLRGLT-UHFFFAOYSA-N 1 2 307.737 1.805 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCc3nc(Cl)ncc3C2)c(O)c1 ZINC001144514412 772558453 /nfs/dbraw/zinc/55/84/53/772558453.db2.gz CBCDZGPGXLRGLT-UHFFFAOYSA-N 1 2 307.737 1.805 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCCNC(=O)C2)c(OC)c1 ZINC001138386193 860082734 /nfs/dbraw/zinc/08/27/34/860082734.db2.gz IZKIRNLSCDYIQL-UHFFFAOYSA-N 1 2 305.422 1.863 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCCNC(=O)C2)c(OC)c1 ZINC001138386193 860082743 /nfs/dbraw/zinc/08/27/43/860082743.db2.gz IZKIRNLSCDYIQL-UHFFFAOYSA-N 1 2 305.422 1.863 20 10 DDCDLO COC(C[N@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21)OC ZINC001139131988 860300347 /nfs/dbraw/zinc/30/03/47/860300347.db2.gz RMHCVOZJPDUZBT-UHFFFAOYSA-N 1 2 307.346 1.858 20 10 DDCDLO COC(C[N@@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21)OC ZINC001139131988 860300352 /nfs/dbraw/zinc/30/03/52/860300352.db2.gz RMHCVOZJPDUZBT-UHFFFAOYSA-N 1 2 307.346 1.858 20 10 DDCDLO CC(C)(O)CC[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140585398 860658587 /nfs/dbraw/zinc/65/85/87/860658587.db2.gz IBGXKYRPJOBUDH-UHFFFAOYSA-N 1 2 314.376 1.949 20 10 DDCDLO CCOC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)[nH]n1 ZINC001237037327 889475753 /nfs/dbraw/zinc/47/57/53/889475753.db2.gz FPLCPXIDZPUHHU-UHFFFAOYSA-N 1 2 301.346 1.850 20 10 DDCDLO CCOC(=O)c1cc(C[N@H+]2CCc3cccc(O)c3C2)[nH]n1 ZINC001237037327 889475759 /nfs/dbraw/zinc/47/57/59/889475759.db2.gz FPLCPXIDZPUHHU-UHFFFAOYSA-N 1 2 301.346 1.850 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278248897 890269746 /nfs/dbraw/zinc/26/97/46/890269746.db2.gz SBRHZKFXHBMJDY-MEDUHNTESA-N 1 2 316.336 1.858 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278248897 890269764 /nfs/dbraw/zinc/26/97/64/890269764.db2.gz SBRHZKFXHBMJDY-MEDUHNTESA-N 1 2 316.336 1.858 20 10 DDCDLO CCCOc1ccc(C[NH+]2CC(NC(=O)C3CC3)C2)c(O)c1 ZINC000297321952 132009417 /nfs/dbraw/zinc/00/94/17/132009417.db2.gz DFMCJEFQDSCBKA-UHFFFAOYSA-N 1 2 304.390 1.891 20 10 DDCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090970195 407173728 /nfs/dbraw/zinc/17/37/28/407173728.db2.gz OZEYEHODWANGIJ-GFCCVEGCSA-N 1 2 319.384 1.642 20 10 DDCDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000179888317 407837604 /nfs/dbraw/zinc/83/76/04/407837604.db2.gz VRQCBTFJBCZMNY-HNNXBMFYSA-N 1 2 300.333 1.944 20 10 DDCDLO COc1ccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)cc1F ZINC000121464354 408218180 /nfs/dbraw/zinc/21/81/80/408218180.db2.gz WXVVQACQLXQBLS-CYBMUJFWSA-N 1 2 322.302 1.880 20 10 DDCDLO CNC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293505775 409127150 /nfs/dbraw/zinc/12/71/50/409127150.db2.gz BULFTALQAPDUKV-LBPRGKRZSA-N 1 2 302.733 1.132 20 10 DDCDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293505775 409127152 /nfs/dbraw/zinc/12/71/52/409127152.db2.gz BULFTALQAPDUKV-LBPRGKRZSA-N 1 2 302.733 1.132 20 10 DDCDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000279053973 409140067 /nfs/dbraw/zinc/14/00/67/409140067.db2.gz COPQBKADUSOQJH-TXEJJXNPSA-N 1 2 308.378 1.279 20 10 DDCDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000279053973 409140070 /nfs/dbraw/zinc/14/00/70/409140070.db2.gz COPQBKADUSOQJH-TXEJJXNPSA-N 1 2 308.378 1.279 20 10 DDCDLO COc1cccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)c1O ZINC000283362839 409144303 /nfs/dbraw/zinc/14/43/03/409144303.db2.gz YQHXJEUXDIUKCJ-UHFFFAOYSA-N 1 2 308.378 1.128 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1)OCO2 ZINC000377690641 418713109 /nfs/dbraw/zinc/71/31/09/418713109.db2.gz DIOKHURRAIAUEX-GXTWGEPZSA-N 1 2 307.346 1.501 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1)OCO2 ZINC000377690641 418713112 /nfs/dbraw/zinc/71/31/12/418713112.db2.gz DIOKHURRAIAUEX-GXTWGEPZSA-N 1 2 307.346 1.501 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378109445 418719046 /nfs/dbraw/zinc/71/90/46/418719046.db2.gz JEAVXBCQYSOFQB-LLVKDONJSA-N 1 2 316.361 1.481 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378109445 418719047 /nfs/dbraw/zinc/71/90/47/418719047.db2.gz JEAVXBCQYSOFQB-LLVKDONJSA-N 1 2 316.361 1.481 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1F ZINC000368492235 522203189 /nfs/dbraw/zinc/20/31/89/522203189.db2.gz AQYLPASMULXUAI-LLVKDONJSA-N 1 2 301.312 1.505 20 10 DDCDLO COc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)c(O)c1 ZINC000792841088 699718299 /nfs/dbraw/zinc/71/82/99/699718299.db2.gz ZEAPCNBOJMXVEG-UHFFFAOYSA-N 1 2 318.377 1.877 20 10 DDCDLO COc1c(O)c(C[N@H+](C)C[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000809751932 701686015 /nfs/dbraw/zinc/68/60/15/701686015.db2.gz YIWHOYKWFOYOFA-SECBINFHSA-N 1 2 324.255 1.664 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)C[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000809751932 701686018 /nfs/dbraw/zinc/68/60/18/701686018.db2.gz YIWHOYKWFOYOFA-SECBINFHSA-N 1 2 324.255 1.664 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768444694 701177534 /nfs/dbraw/zinc/17/75/34/701177534.db2.gz BGVZZJBKSCRNEO-OAHLLOKOSA-N 1 2 309.362 1.473 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768444694 701177536 /nfs/dbraw/zinc/17/75/36/701177536.db2.gz BGVZZJBKSCRNEO-OAHLLOKOSA-N 1 2 309.362 1.473 20 10 DDCDLO CN(C)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000769480995 701246981 /nfs/dbraw/zinc/24/69/81/701246981.db2.gz QIUGRBMYPPMGQD-NRFANRHFSA-N 1 2 309.479 1.249 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)NCCc1ccc(N)cc1)[NH+]1CCOCC1 ZINC000841792317 702568869 /nfs/dbraw/zinc/56/88/69/702568869.db2.gz AJPWCBDOLQEXPA-UONOGXRCSA-N 1 2 320.437 1.220 20 10 DDCDLO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)cc(F)c1O ZINC000850481380 703733464 /nfs/dbraw/zinc/73/34/64/703733464.db2.gz KAGCEFSXYKCHQQ-WKEGUHRASA-N 1 2 317.158 1.833 20 10 DDCDLO CCN1OC[C@@H]([N@@H+]2CCCN(c3ccc(OC)cc3)CC2)C1=O ZINC000851733228 703839985 /nfs/dbraw/zinc/83/99/85/703839985.db2.gz ODPIWUGTZRONOB-MRXNPFEDSA-N 1 2 319.405 1.370 20 10 DDCDLO CCN1OC[C@@H]([N@H+]2CCCN(c3ccc(OC)cc3)CC2)C1=O ZINC000851733228 703839988 /nfs/dbraw/zinc/83/99/88/703839988.db2.gz ODPIWUGTZRONOB-MRXNPFEDSA-N 1 2 319.405 1.370 20 10 DDCDLO COc1ccc(N2CC[NH+](CCc3c[nH]nn3)CC2)cc1F ZINC000851809599 703861529 /nfs/dbraw/zinc/86/15/29/703861529.db2.gz XENXLAYNDANYCE-UHFFFAOYSA-N 1 2 305.357 1.317 20 10 DDCDLO O=C1CN(Cc2ccccc2O)C(=O)N1CCCn1cc[nH+]c1 ZINC000819165916 704079737 /nfs/dbraw/zinc/07/97/37/704079737.db2.gz HEBRGDAORQSWNF-UHFFFAOYSA-N 1 2 314.345 1.443 20 10 DDCDLO CCn1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)n1 ZINC000862433335 705717129 /nfs/dbraw/zinc/71/71/29/705717129.db2.gz IVVLUNBFKQXLAE-UHFFFAOYSA-N 1 2 307.310 1.210 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825773262 705728964 /nfs/dbraw/zinc/72/89/64/705728964.db2.gz BWPTUEKJYJPGMG-NSHDSACASA-N 1 2 303.811 1.973 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825773262 705728966 /nfs/dbraw/zinc/72/89/66/705728966.db2.gz BWPTUEKJYJPGMG-NSHDSACASA-N 1 2 303.811 1.973 20 10 DDCDLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1O ZINC000876616560 705785494 /nfs/dbraw/zinc/78/54/94/705785494.db2.gz ZSCIKBOOHBCXNV-CYBMUJFWSA-N 1 2 302.378 1.652 20 10 DDCDLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1O ZINC000876616560 705785498 /nfs/dbraw/zinc/78/54/98/705785498.db2.gz ZSCIKBOOHBCXNV-CYBMUJFWSA-N 1 2 302.378 1.652 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1S(C)(=O)=O ZINC000827271175 705965556 /nfs/dbraw/zinc/96/55/56/705965556.db2.gz LGALRYPRAFTLHH-SNVBAGLBSA-N 1 2 318.826 1.511 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1S(C)(=O)=O ZINC000827271175 705965558 /nfs/dbraw/zinc/96/55/58/705965558.db2.gz LGALRYPRAFTLHH-SNVBAGLBSA-N 1 2 318.826 1.511 20 10 DDCDLO O=C1CO[C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2N1 ZINC000835057251 707163332 /nfs/dbraw/zinc/16/33/32/707163332.db2.gz SBSBNTXMRYSFAI-AAEUAGOBSA-N 1 2 314.744 1.274 20 10 DDCDLO O=C1CO[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2N1 ZINC000835057251 707163336 /nfs/dbraw/zinc/16/33/36/707163336.db2.gz SBSBNTXMRYSFAI-AAEUAGOBSA-N 1 2 314.744 1.274 20 10 DDCDLO COCCN1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882968844 707877968 /nfs/dbraw/zinc/87/79/68/707877968.db2.gz AKQUHQUTKYYRON-ZDUSSCGKSA-N 1 2 300.349 1.871 20 10 DDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1CCOC1=O ZINC000902036954 710591090 /nfs/dbraw/zinc/59/10/90/710591090.db2.gz KFSKAMLLWQUJPF-UHFFFAOYSA-N 1 2 305.378 1.365 20 10 DDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1CCOC1=O ZINC000902036954 710591095 /nfs/dbraw/zinc/59/10/95/710591095.db2.gz KFSKAMLLWQUJPF-UHFFFAOYSA-N 1 2 305.378 1.365 20 10 DDCDLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000930760968 713913634 /nfs/dbraw/zinc/91/36/34/713913634.db2.gz YRNDGPQSMVOCBP-UHFFFAOYSA-N 1 2 304.350 1.244 20 10 DDCDLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000930760968 713913637 /nfs/dbraw/zinc/91/36/37/713913637.db2.gz YRNDGPQSMVOCBP-UHFFFAOYSA-N 1 2 304.350 1.244 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(F)cc(F)c1O ZINC001116746653 780552580 /nfs/dbraw/zinc/55/25/80/780552580.db2.gz PRKCEHGSPBGVCV-QMMMGPOBSA-N 1 2 310.304 1.643 20 10 DDCDLO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326232934 861217104 /nfs/dbraw/zinc/21/71/04/861217104.db2.gz UGHATQCCATWMTH-ZBFHGGJFSA-N 1 2 320.456 1.747 20 10 DDCDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001149212967 861488860 /nfs/dbraw/zinc/48/88/60/861488860.db2.gz GSMGUGINFBTHFF-NSHDSACASA-N 1 2 316.321 1.046 20 10 DDCDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001149212966 861489656 /nfs/dbraw/zinc/48/96/56/861489656.db2.gz GSMGUGINFBTHFF-LLVKDONJSA-N 1 2 316.321 1.046 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001142531091 861173162 /nfs/dbraw/zinc/17/31/62/861173162.db2.gz PJVRPVWOLCCYJY-UHFFFAOYSA-N 1 2 307.304 1.178 20 10 DDCDLO c1n[nH]cc1C[NH+]1CC2(CN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001277014320 881639385 /nfs/dbraw/zinc/63/93/85/881639385.db2.gz PEVGRAFZJBGNKG-UHFFFAOYSA-N 1 2 312.373 1.503 20 10 DDCDLO COc1cc(C)c(C[N@H+](C)Cc2nnc3n2CCC3)c(O)c1 ZINC001205039776 871338902 /nfs/dbraw/zinc/33/89/02/871338902.db2.gz PBVZNHTYMQWIJB-UHFFFAOYSA-N 1 2 302.378 1.879 20 10 DDCDLO COc1cc(C)c(C[N@@H+](C)Cc2nnc3n2CCC3)c(O)c1 ZINC001205039776 871338920 /nfs/dbraw/zinc/33/89/20/871338920.db2.gz PBVZNHTYMQWIJB-UHFFFAOYSA-N 1 2 302.378 1.879 20 10 DDCDLO Cc1[nH+]c[nH]c1CSCCNC(=O)Cc1ccc(N)cc1 ZINC001220258815 878861598 /nfs/dbraw/zinc/86/15/98/878861598.db2.gz RDEIYQXIRYDGMC-UHFFFAOYSA-N 1 2 304.419 1.892 20 10 DDCDLO O=C([C@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1)N1CC=CC1 ZINC001277446707 884345714 /nfs/dbraw/zinc/34/57/14/884345714.db2.gz SSKFCSYRKHTOGH-MRXNPFEDSA-N 1 2 314.385 1.524 20 10 DDCDLO O=C(NCC1COC1)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483750 885180996 /nfs/dbraw/zinc/18/09/96/885180996.db2.gz AMZNSDSOYCMIJE-CYBMUJFWSA-N 1 2 320.364 1.116 20 10 DDCDLO COc1ccc(Br)c(C[NH+]2CC(C)(CO)C2)c1O ZINC001231547317 885725004 /nfs/dbraw/zinc/72/50/04/885725004.db2.gz DTKSQPYPEBNGIG-UHFFFAOYSA-N 1 2 316.195 1.978 20 10 DDCDLO COc1cc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)cc1O ZINC001231637599 885775491 /nfs/dbraw/zinc/77/54/91/885775491.db2.gz NUCBJXQBKBUMGX-UHFFFAOYSA-N 1 2 310.369 1.725 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(C)c21 ZINC001233483620 887013217 /nfs/dbraw/zinc/01/32/17/887013217.db2.gz GNRLYAXXWHVBLE-LLVKDONJSA-N 1 2 319.361 1.283 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(C)c21 ZINC001233483620 887013230 /nfs/dbraw/zinc/01/32/30/887013230.db2.gz GNRLYAXXWHVBLE-LLVKDONJSA-N 1 2 319.361 1.283 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)cc1OC ZINC001236751535 889332309 /nfs/dbraw/zinc/33/23/09/889332309.db2.gz GUFYSJGIFLGALW-GFCCVEGCSA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)cc1OC ZINC001236751535 889332317 /nfs/dbraw/zinc/33/23/17/889332317.db2.gz GUFYSJGIFLGALW-GFCCVEGCSA-N 1 2 306.362 1.216 20 10 DDCDLO CCc1ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001236793856 889361530 /nfs/dbraw/zinc/36/15/30/889361530.db2.gz GDBLXAHJVLRIQI-UHFFFAOYSA-N 1 2 318.417 1.778 20 10 DDCDLO CCc1ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001236793856 889361545 /nfs/dbraw/zinc/36/15/45/889361545.db2.gz GDBLXAHJVLRIQI-UHFFFAOYSA-N 1 2 318.417 1.778 20 10 DDCDLO CC[C@]1(C)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000135671786 408043501 /nfs/dbraw/zinc/04/35/01/408043501.db2.gz WYTWWWJZOWEGCN-GOSISDBHSA-N 1 2 319.449 1.870 20 10 DDCDLO CC[C@]1(C)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000135671786 408043508 /nfs/dbraw/zinc/04/35/08/408043508.db2.gz WYTWWWJZOWEGCN-GOSISDBHSA-N 1 2 319.449 1.870 20 10 DDCDLO COc1ccc(N2CCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000192716558 408635085 /nfs/dbraw/zinc/63/50/85/408635085.db2.gz VJCQWRCSHPVVLL-MRXNPFEDSA-N 1 2 319.449 1.538 20 10 DDCDLO COc1ccc(N2CCN(CC[N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000192716558 408635089 /nfs/dbraw/zinc/63/50/89/408635089.db2.gz VJCQWRCSHPVVLL-MRXNPFEDSA-N 1 2 319.449 1.538 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@]23CCOC3)cc1OC ZINC000281716542 408916763 /nfs/dbraw/zinc/91/67/63/408916763.db2.gz IDNACVLOGVKHKT-INIZCTEOSA-N 1 2 309.362 1.401 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@@]23CCOC3)cc1OC ZINC000281716542 408916765 /nfs/dbraw/zinc/91/67/65/408916765.db2.gz IDNACVLOGVKHKT-INIZCTEOSA-N 1 2 309.362 1.401 20 10 DDCDLO COC(=O)c1cnc(SCCC[NH+]2CCOCC2)s1 ZINC000295324241 409435837 /nfs/dbraw/zinc/43/58/37/409435837.db2.gz ONBIEVWGJQFVTD-UHFFFAOYSA-N 1 2 302.421 1.744 20 10 DDCDLO NC(=O)C1([NH+]2CCN(Cc3ccccc3O)CC2)CCCC1 ZINC000374906267 418576087 /nfs/dbraw/zinc/57/60/87/418576087.db2.gz BLRMJJZCDIUVME-UHFFFAOYSA-N 1 2 303.406 1.308 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000377483973 418710299 /nfs/dbraw/zinc/71/02/99/418710299.db2.gz GNWCSBSLOQTGLG-CYBMUJFWSA-N 1 2 301.394 1.956 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000377483973 418710301 /nfs/dbraw/zinc/71/03/01/418710301.db2.gz GNWCSBSLOQTGLG-CYBMUJFWSA-N 1 2 301.394 1.956 20 10 DDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3c(nnc3-c3cnn(C)c3)C2)c1 ZINC000371402884 418789367 /nfs/dbraw/zinc/78/93/67/418789367.db2.gz DVNGRFWCTCESPT-UHFFFAOYSA-N 1 2 324.388 1.708 20 10 DDCDLO Cc1ccc(O)c(C[N@H+]2CCn3c(nnc3-c3cnn(C)c3)C2)c1 ZINC000371402884 418789371 /nfs/dbraw/zinc/78/93/71/418789371.db2.gz DVNGRFWCTCESPT-UHFFFAOYSA-N 1 2 324.388 1.708 20 10 DDCDLO Cc1nccnc1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000374214884 534786148 /nfs/dbraw/zinc/78/61/48/534786148.db2.gz AHRDDOCWTUKMOI-UHFFFAOYSA-N 1 2 302.353 1.952 20 10 DDCDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC000158488233 525946089 /nfs/dbraw/zinc/94/60/89/525946089.db2.gz PHSAKKZGORDWBM-UHFFFAOYSA-N 1 2 316.357 1.952 20 10 DDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000228299680 697774012 /nfs/dbraw/zinc/77/40/12/697774012.db2.gz QAFVBXIGYUMQEU-CYBMUJFWSA-N 1 2 310.781 1.959 20 10 DDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000228299680 697774015 /nfs/dbraw/zinc/77/40/15/697774015.db2.gz QAFVBXIGYUMQEU-CYBMUJFWSA-N 1 2 310.781 1.959 20 10 DDCDLO O=S1(=O)CCC(O)(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000776213883 698081983 /nfs/dbraw/zinc/08/19/83/698081983.db2.gz HEICSRKOKORGMH-UHFFFAOYSA-N 1 2 319.810 1.075 20 10 DDCDLO COC(=O)Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000776253438 698088226 /nfs/dbraw/zinc/08/82/26/698088226.db2.gz PWNRBBCGMFEYQC-UHFFFAOYSA-N 1 2 310.741 1.100 20 10 DDCDLO CN1CCOC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000700195350 699221287 /nfs/dbraw/zinc/22/12/87/699221287.db2.gz VDDLDAGHIUSRJV-NSHDSACASA-N 1 2 315.211 1.575 20 10 DDCDLO CC(=O)NCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715803683 699277239 /nfs/dbraw/zinc/27/72/39/699277239.db2.gz IIBFOUCOKDLJSJ-UHFFFAOYSA-N 1 2 319.174 1.910 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792165876 699679845 /nfs/dbraw/zinc/67/98/45/699679845.db2.gz LYRIMBOZRFMRRQ-MRVPVSSYSA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792165876 699679846 /nfs/dbraw/zinc/67/98/46/699679846.db2.gz LYRIMBOZRFMRRQ-MRVPVSSYSA-N 1 2 322.789 1.438 20 10 DDCDLO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000802310755 700394892 /nfs/dbraw/zinc/39/48/92/700394892.db2.gz UFLNTTXDBPGHLZ-CBAPKCEASA-N 1 2 322.174 1.952 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768445657 701177451 /nfs/dbraw/zinc/17/74/51/701177451.db2.gz SNSNGDXQYDPSAN-AWEZNQCLSA-N 1 2 307.346 1.346 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768445657 701177452 /nfs/dbraw/zinc/17/74/52/701177452.db2.gz SNSNGDXQYDPSAN-AWEZNQCLSA-N 1 2 307.346 1.346 20 10 DDCDLO CC(C)(CNC(=O)NCCc1ccc(N)cc1)[NH+]1CCOCC1 ZINC000841631393 702513567 /nfs/dbraw/zinc/51/35/67/702513567.db2.gz XOYVFALCUXLWLT-UHFFFAOYSA-N 1 2 320.437 1.221 20 10 DDCDLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(N(C)C)cc1 ZINC000875507214 705412319 /nfs/dbraw/zinc/41/23/19/705412319.db2.gz BPQBEXFDXAEHEK-OCCSQVGLSA-N 1 2 313.405 1.934 20 10 DDCDLO OCC1(CO)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000877798444 706219236 /nfs/dbraw/zinc/21/92/36/706219236.db2.gz RQVIMFAUPRYGGX-UHFFFAOYSA-N 1 2 303.761 1.752 20 10 DDCDLO C[C@H](C(=O)NCc1cccc(Cl)c1O)N1CC[NH+](C)CC1 ZINC000890759440 709979453 /nfs/dbraw/zinc/97/94/53/709979453.db2.gz BOILEUYBLICOEN-LLVKDONJSA-N 1 2 311.813 1.298 20 10 DDCDLO CCC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000894676587 711236246 /nfs/dbraw/zinc/23/62/46/711236246.db2.gz SQEFRIMARDUSTH-GFCCVEGCSA-N 1 2 312.316 1.640 20 10 DDCDLO CCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000894676587 711236247 /nfs/dbraw/zinc/23/62/47/711236247.db2.gz SQEFRIMARDUSTH-GFCCVEGCSA-N 1 2 312.316 1.640 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000928642851 713247127 /nfs/dbraw/zinc/24/71/27/713247127.db2.gz IGGZBIHVCAEGND-YVZNUBBCSA-N 1 2 320.389 1.338 20 10 DDCDLO CN(c1ccc(N)[nH+]c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001201286913 748454770 /nfs/dbraw/zinc/45/47/70/748454770.db2.gz HLFFGNDTWQUPJA-UHFFFAOYSA-N 1 2 306.391 1.255 20 10 DDCDLO O=C(c1cc(O)c(O)c(O)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC001148584272 773539449 /nfs/dbraw/zinc/53/94/49/773539449.db2.gz QODGOWYHBAMBBS-UHFFFAOYSA-N 1 2 303.318 1.477 20 10 DDCDLO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617245 846414577 /nfs/dbraw/zinc/41/45/77/846414577.db2.gz UPEBSGVZMHSKGP-MRXNPFEDSA-N 1 2 324.327 1.641 20 10 DDCDLO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617245 846414582 /nfs/dbraw/zinc/41/45/82/846414582.db2.gz UPEBSGVZMHSKGP-MRXNPFEDSA-N 1 2 324.327 1.641 20 10 DDCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001273285574 849334959 /nfs/dbraw/zinc/33/49/59/849334959.db2.gz SHPKPDKECTUUOF-GFCCVEGCSA-N 1 2 322.380 1.743 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831529 859982828 /nfs/dbraw/zinc/98/28/28/859982828.db2.gz CUVWZSZBWVGZGR-HNNXBMFYSA-N 1 2 308.353 1.355 20 10 DDCDLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137836030 859984051 /nfs/dbraw/zinc/98/40/51/859984051.db2.gz SRVKYKWLKFWWOL-KRWDZBQOSA-N 1 2 322.380 1.745 20 10 DDCDLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137836030 859984058 /nfs/dbraw/zinc/98/40/58/859984058.db2.gz SRVKYKWLKFWWOL-KRWDZBQOSA-N 1 2 322.380 1.745 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143696 860793831 /nfs/dbraw/zinc/79/38/31/860793831.db2.gz GCBHFCNXTFJCMM-UHFFFAOYSA-N 1 2 319.405 1.789 20 10 DDCDLO COc1cc(C[NH+]2CCN(c3ccccn3)CC2)cc(O)c1O ZINC001204340186 871060082 /nfs/dbraw/zinc/06/00/82/871060082.db2.gz GWVNTXIAOANKNK-UHFFFAOYSA-N 1 2 315.373 1.824 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2nnnn2C)c1O ZINC001308133984 871473640 /nfs/dbraw/zinc/47/36/40/871473640.db2.gz GHEZLLRZPPHLLC-ZETCQYMHSA-N 1 2 309.757 1.623 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)cc1Cl ZINC001231870662 885917172 /nfs/dbraw/zinc/91/71/72/885917172.db2.gz MSXHWOGHQVAUHE-UHFFFAOYSA-N 1 2 323.824 1.312 20 10 DDCDLO COC(=O)c1c(C[N@@H+]2CCNC(=O)CC2)c2ccccc2n1C ZINC001232401127 886336051 /nfs/dbraw/zinc/33/60/51/886336051.db2.gz GPJOVFXVEFLHPA-UHFFFAOYSA-N 1 2 315.373 1.287 20 10 DDCDLO COC(=O)c1c(C[N@H+]2CCNC(=O)CC2)c2ccccc2n1C ZINC001232401127 886336068 /nfs/dbraw/zinc/33/60/68/886336068.db2.gz GPJOVFXVEFLHPA-UHFFFAOYSA-N 1 2 315.373 1.287 20 10 DDCDLO CC(C)(O)CC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233078855 886777631 /nfs/dbraw/zinc/77/76/31/886777631.db2.gz LZROGKBKWAXVBB-UHFFFAOYSA-N 1 2 314.376 1.949 20 10 DDCDLO Oc1ccc(F)c(F)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001233334697 886929184 /nfs/dbraw/zinc/92/91/84/886929184.db2.gz QFSVEGZHFVMSOB-LBPRGKRZSA-N 1 2 312.360 1.967 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1Cl ZINC001236801162 889359098 /nfs/dbraw/zinc/35/90/98/889359098.db2.gz GIPFKAGZJLDGJY-SWLSCSKDSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1Cl ZINC001236801162 889359103 /nfs/dbraw/zinc/35/91/03/889359103.db2.gz GIPFKAGZJLDGJY-SWLSCSKDSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1Cl ZINC001236803412 889364354 /nfs/dbraw/zinc/36/43/54/889364354.db2.gz TYDYCKVIAFDUHI-AWEZNQCLSA-N 1 2 301.770 1.637 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@@](C)(O)C2)c(O)c1Cl ZINC001236803412 889364360 /nfs/dbraw/zinc/36/43/60/889364360.db2.gz TYDYCKVIAFDUHI-AWEZNQCLSA-N 1 2 301.770 1.637 20 10 DDCDLO Cc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c[nH+]c1N ZINC001249788531 894126423 /nfs/dbraw/zinc/12/64/23/894126423.db2.gz JRFOEFHFYBOTEG-UHFFFAOYSA-N 1 2 320.418 1.563 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)c1O ZINC000179711890 407825092 /nfs/dbraw/zinc/82/50/92/407825092.db2.gz LQCOACOSTAJWEL-CQSZACIVSA-N 1 2 308.378 1.128 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)c1O ZINC000179711890 407825096 /nfs/dbraw/zinc/82/50/96/407825096.db2.gz LQCOACOSTAJWEL-CQSZACIVSA-N 1 2 308.378 1.128 20 10 DDCDLO C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCOCC1 ZINC000273464179 408212179 /nfs/dbraw/zinc/21/21/79/408212179.db2.gz DGEUQCTZFIUTKN-STQMWFEESA-N 1 2 323.393 1.919 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c(O)c1 ZINC000276660128 408895253 /nfs/dbraw/zinc/89/52/53/408895253.db2.gz SWZGMGGSVYJFKW-JSGCOSHPSA-N 1 2 309.362 1.289 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c(O)c1 ZINC000276660128 408895256 /nfs/dbraw/zinc/89/52/56/408895256.db2.gz SWZGMGGSVYJFKW-JSGCOSHPSA-N 1 2 309.362 1.289 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000278128085 409069094 /nfs/dbraw/zinc/06/90/94/409069094.db2.gz BTLANKMKBHHPEM-HNNXBMFYSA-N 1 2 322.317 1.591 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCC[C@@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000278128085 409069097 /nfs/dbraw/zinc/06/90/97/409069097.db2.gz BTLANKMKBHHPEM-HNNXBMFYSA-N 1 2 322.317 1.591 20 10 DDCDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)[S@@]1=O ZINC000289907233 409289366 /nfs/dbraw/zinc/28/93/66/409289366.db2.gz XASUILFOXJHDKQ-ANFZBRINSA-N 1 2 311.403 1.852 20 10 DDCDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)[S@@]1=O ZINC000289907233 409289368 /nfs/dbraw/zinc/28/93/68/409289368.db2.gz XASUILFOXJHDKQ-ANFZBRINSA-N 1 2 311.403 1.852 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000371403507 418789520 /nfs/dbraw/zinc/78/95/20/418789520.db2.gz SPIHSNRHJRJJGI-GJZGRUSLSA-N 1 2 323.389 1.943 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000371403507 418789521 /nfs/dbraw/zinc/78/95/21/418789521.db2.gz SPIHSNRHJRJJGI-GJZGRUSLSA-N 1 2 323.389 1.943 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529644785 421548965 /nfs/dbraw/zinc/54/89/65/421548965.db2.gz XPEZJCXXQIWQDT-LBPRGKRZSA-N 1 2 313.785 1.175 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529644785 421548968 /nfs/dbraw/zinc/54/89/68/421548968.db2.gz XPEZJCXXQIWQDT-LBPRGKRZSA-N 1 2 313.785 1.175 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1O ZINC000365817885 277106006 /nfs/dbraw/zinc/10/60/06/277106006.db2.gz CRHAKYYYDLZHKJ-ZDUSSCGKSA-N 1 2 321.352 1.286 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1O ZINC000365817885 277106007 /nfs/dbraw/zinc/10/60/07/277106007.db2.gz CRHAKYYYDLZHKJ-ZDUSSCGKSA-N 1 2 321.352 1.286 20 10 DDCDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355175 535841443 /nfs/dbraw/zinc/84/14/43/535841443.db2.gz PALFPKDOAJYRBC-GOEBONIOSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355175 535841452 /nfs/dbraw/zinc/84/14/52/535841452.db2.gz PALFPKDOAJYRBC-GOEBONIOSA-N 1 2 319.449 1.868 20 10 DDCDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692705 697440725 /nfs/dbraw/zinc/44/07/25/697440725.db2.gz UKYCDUFZWDUSLN-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692705 697440726 /nfs/dbraw/zinc/44/07/26/697440726.db2.gz UKYCDUFZWDUSLN-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000779513430 698429427 /nfs/dbraw/zinc/42/94/27/698429427.db2.gz HNWINSNFZMBBDR-DUXPYHPUSA-N 1 2 312.325 1.796 20 10 DDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCCCCn1cc[nH+]c1 ZINC000779521635 698430601 /nfs/dbraw/zinc/43/06/01/698430601.db2.gz NHLVILPSGMQUHT-GQCTYLIASA-N 1 2 301.346 1.904 20 10 DDCDLO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055983 699248515 /nfs/dbraw/zinc/24/85/15/699248515.db2.gz HYBYURCRYUSBPC-LDWIPMOCSA-N 1 2 324.602 1.639 20 10 DDCDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1=CC(=O)CS1 ZINC000732291149 699554637 /nfs/dbraw/zinc/55/46/37/699554637.db2.gz RHHHSXJHAPJGAW-UHFFFAOYSA-N 1 2 322.390 1.235 20 10 DDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1[O-] ZINC000841080709 702338498 /nfs/dbraw/zinc/33/84/98/702338498.db2.gz XZOOHHZKEHUHQV-UWVGGRQHSA-N 1 2 303.721 1.743 20 10 DDCDLO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1=CC(=O)CS1 ZINC000856083169 704512673 /nfs/dbraw/zinc/51/26/73/704512673.db2.gz IGAGWSWVHFWZGQ-ZIAGYGMSSA-N 1 2 322.430 1.827 20 10 DDCDLO Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000862356091 705699891 /nfs/dbraw/zinc/69/98/91/705699891.db2.gz UJFXIFIISAKPOA-AOOOYVTPSA-N 1 2 314.179 1.754 20 10 DDCDLO Oc1cccc(Br)c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000862356091 705699895 /nfs/dbraw/zinc/69/98/95/705699895.db2.gz UJFXIFIISAKPOA-AOOOYVTPSA-N 1 2 314.179 1.754 20 10 DDCDLO Oc1c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc(F)c1F ZINC000876626342 705789770 /nfs/dbraw/zinc/78/97/70/705789770.db2.gz WAWDYQIGVYBKJJ-CYBMUJFWSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)ccc(F)c1F ZINC000876626342 705789776 /nfs/dbraw/zinc/78/97/76/705789776.db2.gz WAWDYQIGVYBKJJ-CYBMUJFWSA-N 1 2 312.360 1.967 20 10 DDCDLO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3O)C2=O)cn1 ZINC000877045941 705971333 /nfs/dbraw/zinc/97/13/33/705971333.db2.gz GZTVOIZZXJLMEC-GFCCVEGCSA-N 1 2 322.315 1.299 20 10 DDCDLO O=C(NCC1C[NH+](Cc2cc(F)ccc2O)C1)C(F)(F)F ZINC000877777004 706207409 /nfs/dbraw/zinc/20/74/09/706207409.db2.gz JXXJERLPKHMMLC-UHFFFAOYSA-N 1 2 306.259 1.642 20 10 DDCDLO C[C@H]1CN(CCO)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053027 707162879 /nfs/dbraw/zinc/16/28/79/707162879.db2.gz AEOFAVLCLIHNKP-AWFCHZOYSA-N 1 2 303.450 1.764 20 10 DDCDLO C[C@H]1CN(CCO)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053027 707162880 /nfs/dbraw/zinc/16/28/80/707162880.db2.gz AEOFAVLCLIHNKP-AWFCHZOYSA-N 1 2 303.450 1.764 20 10 DDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144300052 772471567 /nfs/dbraw/zinc/47/15/67/772471567.db2.gz QKLNONOBLXZUNC-UHFFFAOYSA-N 1 2 319.174 1.814 20 10 DDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144300052 772471572 /nfs/dbraw/zinc/47/15/72/772471572.db2.gz QKLNONOBLXZUNC-UHFFFAOYSA-N 1 2 319.174 1.814 20 10 DDCDLO CN1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001274121900 851952548 /nfs/dbraw/zinc/95/25/48/851952548.db2.gz UZVCULJFJRFWAS-UHFFFAOYSA-N 1 2 318.417 1.733 20 10 DDCDLO Cc1cc(Cl)cc(C[NH+]2CC3(C2)COCC(=O)N3C)c1O ZINC001274400121 852235444 /nfs/dbraw/zinc/23/54/44/852235444.db2.gz WURWGRZOUGNWIK-UHFFFAOYSA-N 1 2 310.781 1.397 20 10 DDCDLO CN(C)C(=O)CN1CCC12C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001275834128 853842100 /nfs/dbraw/zinc/84/21/00/853842100.db2.gz XBZHBDMXUKAQHZ-UHFFFAOYSA-N 1 2 316.449 1.101 20 10 DDCDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141029560 860766622 /nfs/dbraw/zinc/76/66/22/860766622.db2.gz VXRJFKYURZRXPT-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141029560 860766626 /nfs/dbraw/zinc/76/66/26/860766626.db2.gz VXRJFKYURZRXPT-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140436 860793512 /nfs/dbraw/zinc/79/35/12/860793512.db2.gz MCSLZWUMSJPXLW-INIZCTEOSA-N 1 2 308.353 1.602 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140436 860793514 /nfs/dbraw/zinc/79/35/14/860793514.db2.gz MCSLZWUMSJPXLW-INIZCTEOSA-N 1 2 308.353 1.602 20 10 DDCDLO CN1CCOc2cc(CN3CC([N@@H+]4CC[C@H](F)C4)C3)ccc21 ZINC001141144253 860795290 /nfs/dbraw/zinc/79/52/90/860795290.db2.gz XGOPOINNOVEACG-AWEZNQCLSA-N 1 2 305.397 1.743 20 10 DDCDLO CN1CCOc2cc(CN3CC([N@H+]4CC[C@H](F)C4)C3)ccc21 ZINC001141144253 860795294 /nfs/dbraw/zinc/79/52/94/860795294.db2.gz XGOPOINNOVEACG-AWEZNQCLSA-N 1 2 305.397 1.743 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CC(N4CC[C@H](F)C4)C3)ccc21 ZINC001141144253 860795297 /nfs/dbraw/zinc/79/52/97/860795297.db2.gz XGOPOINNOVEACG-AWEZNQCLSA-N 1 2 305.397 1.743 20 10 DDCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142525037 861170055 /nfs/dbraw/zinc/17/00/55/861170055.db2.gz UTTXAFCOHVBYIO-UHFFFAOYSA-N 1 2 309.272 1.430 20 10 DDCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142525037 861170066 /nfs/dbraw/zinc/17/00/66/861170066.db2.gz UTTXAFCOHVBYIO-UHFFFAOYSA-N 1 2 309.272 1.430 20 10 DDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1c(O)cccc1F ZINC001332285871 865729120 /nfs/dbraw/zinc/72/91/20/865729120.db2.gz VVBSFYCUKHECCK-NSHDSACASA-N 1 2 311.357 1.051 20 10 DDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1c(O)cccc1F ZINC001332285871 865729127 /nfs/dbraw/zinc/72/91/27/865729127.db2.gz VVBSFYCUKHECCK-NSHDSACASA-N 1 2 311.357 1.051 20 10 DDCDLO O=C1NC(=O)[C@]2(CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2O)N1 ZINC001205716320 871738732 /nfs/dbraw/zinc/73/87/32/871738732.db2.gz HOSRFBARYCHNAW-ZUZCIYMTSA-N 1 2 323.780 1.514 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001231849026 885905059 /nfs/dbraw/zinc/90/50/59/885905059.db2.gz MONYRCOGRPDDGN-QGZVFWFLSA-N 1 2 319.449 1.668 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(O)C(F)(F)F ZINC001233010901 886721394 /nfs/dbraw/zinc/72/13/94/886721394.db2.gz WXPXQHAICPHSAL-OQPBUACISA-N 1 2 321.295 1.939 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(O)C(F)(F)F ZINC001233010901 886721402 /nfs/dbraw/zinc/72/14/02/886721402.db2.gz WXPXQHAICPHSAL-OQPBUACISA-N 1 2 321.295 1.939 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCCO1 ZINC001233336074 886931768 /nfs/dbraw/zinc/93/17/68/886931768.db2.gz XOZDIRKOKKSFNX-GFCCVEGCSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CCCO1 ZINC001233336074 886931777 /nfs/dbraw/zinc/93/17/77/886931777.db2.gz XOZDIRKOKKSFNX-GFCCVEGCSA-N 1 2 301.289 1.434 20 10 DDCDLO CCNC(=O)C[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236773867 889330998 /nfs/dbraw/zinc/33/09/98/889330998.db2.gz VJZHGQDIOZVEGF-UHFFFAOYSA-N 1 2 317.183 1.428 20 10 DDCDLO CCNC(=O)C[N@@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236773867 889331010 /nfs/dbraw/zinc/33/10/10/889331010.db2.gz VJZHGQDIOZVEGF-UHFFFAOYSA-N 1 2 317.183 1.428 20 10 DDCDLO COc1cc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C)C2)cc(O)c1O ZINC001278235610 890229546 /nfs/dbraw/zinc/22/95/46/890229546.db2.gz MGIIPFHWBOTBLA-NSHDSACASA-N 1 2 306.362 1.017 20 10 DDCDLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(N)cc2)n1 ZINC001262597913 900268123 /nfs/dbraw/zinc/26/81/23/900268123.db2.gz CAHZYTWGXGKRMS-UHFFFAOYSA-N 1 2 319.434 1.786 20 10 DDCDLO C[C@@H]1OCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000298615265 132069831 /nfs/dbraw/zinc/06/98/31/132069831.db2.gz MQFZQBWOBRXQRC-KBPBESRZSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1OCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000298615265 132069833 /nfs/dbraw/zinc/06/98/33/132069833.db2.gz MQFZQBWOBRXQRC-KBPBESRZSA-N 1 2 305.422 1.478 20 10 DDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(N(C)C)c(F)c1 ZINC000271177574 407555955 /nfs/dbraw/zinc/55/59/55/407555955.db2.gz IDVJSFDQLQPGEE-UHFFFAOYSA-N 1 2 302.415 1.758 20 10 DDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(N(C)C)c(F)c1 ZINC000271177574 407555963 /nfs/dbraw/zinc/55/59/63/407555963.db2.gz IDVJSFDQLQPGEE-UHFFFAOYSA-N 1 2 302.415 1.758 20 10 DDCDLO Nc1ccnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000135185864 407989264 /nfs/dbraw/zinc/98/92/64/407989264.db2.gz GLUFCISDYMLNGL-CQSZACIVSA-N 1 2 314.389 1.946 20 10 DDCDLO Nc1ccnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000135185864 407989269 /nfs/dbraw/zinc/98/92/69/407989269.db2.gz GLUFCISDYMLNGL-CQSZACIVSA-N 1 2 314.389 1.946 20 10 DDCDLO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293511425 409128378 /nfs/dbraw/zinc/12/83/78/409128378.db2.gz CEYCCMUSQIYRGU-LLVKDONJSA-N 1 2 301.793 1.520 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368963249 418727203 /nfs/dbraw/zinc/72/72/03/418727203.db2.gz ADEQFUFNNQWBOV-XEGUGMAKSA-N 1 2 320.364 1.820 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368963249 418727204 /nfs/dbraw/zinc/72/72/04/418727204.db2.gz ADEQFUFNNQWBOV-XEGUGMAKSA-N 1 2 320.364 1.820 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C[NH+]1CC(C)(C)C1 ZINC000568528658 421620284 /nfs/dbraw/zinc/62/02/84/421620284.db2.gz SUOISCWZUMRMRS-UHFFFAOYSA-N 1 2 303.406 1.820 20 10 DDCDLO Nc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC001120592247 782042411 /nfs/dbraw/zinc/04/24/11/782042411.db2.gz UBYIBFSRNHHYEJ-INIZCTEOSA-N 1 2 318.421 1.275 20 10 DDCDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000361733356 534505897 /nfs/dbraw/zinc/50/58/97/534505897.db2.gz MOJIIVAKCORGFW-MXPWBENCSA-N 1 2 313.357 1.747 20 10 DDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000180254246 523671095 /nfs/dbraw/zinc/67/10/95/523671095.db2.gz MFXVWRRUGQCEEK-UHFFFAOYSA-N 1 2 301.770 1.975 20 10 DDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000180254246 523671108 /nfs/dbraw/zinc/67/11/08/523671108.db2.gz MFXVWRRUGQCEEK-UHFFFAOYSA-N 1 2 301.770 1.975 20 10 DDCDLO Cc1cc[nH+]c(NCCc2ccc(O)c(O)c2)c1-c1nn[nH]n1 ZINC000826314296 609571308 /nfs/dbraw/zinc/57/13/08/609571308.db2.gz PRALGLGNADYYEG-UHFFFAOYSA-N 1 2 312.333 1.636 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1F ZINC000058482952 696304273 /nfs/dbraw/zinc/30/42/73/696304273.db2.gz JRWSFFJJTYQLKV-UHFFFAOYSA-N 1 2 319.384 1.978 20 10 DDCDLO Cc1cc(C)c(O)c(C[N@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC000164462833 697336437 /nfs/dbraw/zinc/33/64/37/697336437.db2.gz XGOZTTBWMIPJJH-UHFFFAOYSA-N 1 2 314.389 1.591 20 10 DDCDLO Cc1cc(C)c(O)c(C[N@@H+]2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC000164462833 697336438 /nfs/dbraw/zinc/33/64/38/697336438.db2.gz XGOZTTBWMIPJJH-UHFFFAOYSA-N 1 2 314.389 1.591 20 10 DDCDLO COC[C@H](O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743817 699276453 /nfs/dbraw/zinc/27/64/53/699276453.db2.gz BNZGXZVJZPORFG-SNVBAGLBSA-N 1 2 322.174 1.781 20 10 DDCDLO COc1cc(O)c(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1OC ZINC000792191912 699681835 /nfs/dbraw/zinc/68/18/35/699681835.db2.gz FDYNKHQJSOVIEA-GXXBUWOFSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1OC ZINC000792191912 699681838 /nfs/dbraw/zinc/68/18/38/699681838.db2.gz FDYNKHQJSOVIEA-GXXBUWOFSA-N 1 2 313.419 1.751 20 10 DDCDLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816586396 702120220 /nfs/dbraw/zinc/12/02/20/702120220.db2.gz GTMQCWHTULXNMP-QMMMGPOBSA-N 1 2 308.762 1.048 20 10 DDCDLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816586396 702120221 /nfs/dbraw/zinc/12/02/21/702120221.db2.gz GTMQCWHTULXNMP-QMMMGPOBSA-N 1 2 308.762 1.048 20 10 DDCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(C)c1=O ZINC000758304678 700697754 /nfs/dbraw/zinc/69/77/54/700697754.db2.gz BSFDPFKZFRJHRE-UHFFFAOYSA-N 1 2 303.410 1.516 20 10 DDCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(C)c1=O ZINC000758304678 700697755 /nfs/dbraw/zinc/69/77/55/700697755.db2.gz BSFDPFKZFRJHRE-UHFFFAOYSA-N 1 2 303.410 1.516 20 10 DDCDLO OCc1cn(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)nn1 ZINC000811511774 701995533 /nfs/dbraw/zinc/99/55/33/701995533.db2.gz UEROUHXBPYZRMH-UHFFFAOYSA-N 1 2 314.748 1.448 20 10 DDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840917186 702278926 /nfs/dbraw/zinc/27/89/26/702278926.db2.gz HSXDVFDXUZDLII-INIZCTEOSA-N 1 2 306.406 1.825 20 10 DDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840917186 702278929 /nfs/dbraw/zinc/27/89/29/702278929.db2.gz HSXDVFDXUZDLII-INIZCTEOSA-N 1 2 306.406 1.825 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435285 702881601 /nfs/dbraw/zinc/88/16/01/702881601.db2.gz RYBTUTFJIUARMR-KOLCDFICSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435285 702881604 /nfs/dbraw/zinc/88/16/04/702881604.db2.gz RYBTUTFJIUARMR-KOLCDFICSA-N 1 2 317.744 1.541 20 10 DDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1ccc(O)c(O)c1 ZINC000845833280 703207844 /nfs/dbraw/zinc/20/78/44/703207844.db2.gz JMVRLORFSKVNGQ-UHFFFAOYSA-N 1 2 315.373 1.532 20 10 DDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000822553594 704973726 /nfs/dbraw/zinc/97/37/26/704973726.db2.gz KZVOEARAVGUOHW-UHFFFAOYSA-N 1 2 316.430 1.822 20 10 DDCDLO Cc1cc(Br)c(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000862446016 705718391 /nfs/dbraw/zinc/71/83/91/705718391.db2.gz MKBPEBQQAOVWQU-QWRGUYRKSA-N 1 2 302.168 1.001 20 10 DDCDLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(F)c(F)c1O ZINC000877606863 706157738 /nfs/dbraw/zinc/15/77/38/706157738.db2.gz NGVOQXMBEYRKAS-JTQLQIEISA-N 1 2 313.348 1.222 20 10 DDCDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c(O)c1OC ZINC000892150784 710381312 /nfs/dbraw/zinc/38/13/12/710381312.db2.gz MSZZBXQMAYKOIQ-GFCCVEGCSA-N 1 2 318.377 1.875 20 10 DDCDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c(O)c1OC ZINC000892150784 710381313 /nfs/dbraw/zinc/38/13/13/710381313.db2.gz MSZZBXQMAYKOIQ-GFCCVEGCSA-N 1 2 318.377 1.875 20 10 DDCDLO CN1C(=O)NCC12CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000895058284 711390771 /nfs/dbraw/zinc/39/07/71/711390771.db2.gz UVJAGYUFHRKTFV-UHFFFAOYSA-N 1 2 311.332 1.660 20 10 DDCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)n1 ZINC000924713512 714647353 /nfs/dbraw/zinc/64/73/53/714647353.db2.gz DSZYCZDKKDOSKI-GFCCVEGCSA-N 1 2 319.384 1.642 20 10 DDCDLO CN(C)C(=O)NC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585636 734806064 /nfs/dbraw/zinc/80/60/64/734806064.db2.gz QFTHSDQOCJDRIF-UHFFFAOYSA-N 1 2 313.348 1.906 20 10 DDCDLO COc1ccnc(N2CC[NH+](Cc3c(O)cccc3F)CC2)n1 ZINC001137838520 751759122 /nfs/dbraw/zinc/75/91/22/751759122.db2.gz BURGHGMYLHOMDL-UHFFFAOYSA-N 1 2 318.352 1.652 20 10 DDCDLO CCOCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172406981 776769504 /nfs/dbraw/zinc/76/95/04/776769504.db2.gz RHWHEBRFIQNETE-AAEUAGOBSA-N 1 2 311.378 1.587 20 10 DDCDLO Cc1cc(C)c(O)c(C[N@H+](C)Cc2nnc3c(=O)[nH]ccn23)c1 ZINC001119332056 781407731 /nfs/dbraw/zinc/40/77/31/781407731.db2.gz GAMNAXLYGBGPCD-UHFFFAOYSA-N 1 2 313.361 1.372 20 10 DDCDLO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2nnc3c(=O)[nH]ccn23)c1 ZINC001119332056 781407736 /nfs/dbraw/zinc/40/77/36/781407736.db2.gz GAMNAXLYGBGPCD-UHFFFAOYSA-N 1 2 313.361 1.372 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC001123886817 859456603 /nfs/dbraw/zinc/45/66/03/859456603.db2.gz TUDBUOAYHDRCOG-AWEZNQCLSA-N 1 2 320.437 1.136 20 10 DDCDLO O=C(c1ccco1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155643 860797028 /nfs/dbraw/zinc/79/70/28/860797028.db2.gz CLOUEFIHUKQWTL-UHFFFAOYSA-N 1 2 302.330 1.649 20 10 DDCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335724108 868498407 /nfs/dbraw/zinc/49/84/07/868498407.db2.gz GTNRIJIBNMRXHB-CJNGLKHVSA-N 1 2 318.421 1.273 20 10 DDCDLO COc1cc(CN2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc(O)c1O ZINC001204350174 871072648 /nfs/dbraw/zinc/07/26/48/871072648.db2.gz DRSHUFHDXDYSTC-TXEJJXNPSA-N 1 2 322.405 1.400 20 10 DDCDLO COc1cc(CN2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc(O)c1O ZINC001204350174 871072664 /nfs/dbraw/zinc/07/26/64/871072664.db2.gz DRSHUFHDXDYSTC-TXEJJXNPSA-N 1 2 322.405 1.400 20 10 DDCDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001277660015 886331993 /nfs/dbraw/zinc/33/19/93/886331993.db2.gz MWSWONFYNQDXJK-UHFFFAOYSA-N 1 2 317.345 1.346 20 10 DDCDLO CN(C)C(=O)c1noc2c1C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001277660015 886332016 /nfs/dbraw/zinc/33/20/16/886332016.db2.gz MWSWONFYNQDXJK-UHFFFAOYSA-N 1 2 317.345 1.346 20 10 DDCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCOC[C@H](O)C1 ZINC001237117490 889509772 /nfs/dbraw/zinc/50/97/72/889509772.db2.gz PTNKCPJFEUMLPC-SECBINFHSA-N 1 2 307.268 1.484 20 10 DDCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC001237117490 889509777 /nfs/dbraw/zinc/50/97/77/889509777.db2.gz PTNKCPJFEUMLPC-SECBINFHSA-N 1 2 307.268 1.484 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC001237617533 889762932 /nfs/dbraw/zinc/76/29/32/889762932.db2.gz SHFYOXHTAHFOEV-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC001237617533 889762943 /nfs/dbraw/zinc/76/29/43/889762943.db2.gz SHFYOXHTAHFOEV-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237808279 889863530 /nfs/dbraw/zinc/86/35/30/889863530.db2.gz SPLKJYXJMWGHCX-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001238069676 890015645 /nfs/dbraw/zinc/01/56/45/890015645.db2.gz JVYAJTMHMQRWQB-UWEBFBLFSA-N 1 2 323.364 1.992 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(F)cc(C)c1O ZINC001238069676 890015660 /nfs/dbraw/zinc/01/56/60/890015660.db2.gz JVYAJTMHMQRWQB-UWEBFBLFSA-N 1 2 323.364 1.992 20 10 DDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001296005235 916175880 /nfs/dbraw/zinc/17/58/80/916175880.db2.gz JPWAVNNIHFGXAP-GFCCVEGCSA-N 1 2 301.346 1.390 20 10 DDCDLO CN(C)c1ncnc2c1C[N@H+](Cc1cccc(F)c1O)CC2 ZINC000373123687 282330672 /nfs/dbraw/zinc/33/06/72/282330672.db2.gz JGSGKHCKSJINHW-UHFFFAOYSA-N 1 2 302.353 1.946 20 10 DDCDLO CN(C)c1ncnc2c1C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC000373123687 282330674 /nfs/dbraw/zinc/33/06/74/282330674.db2.gz JGSGKHCKSJINHW-UHFFFAOYSA-N 1 2 302.353 1.946 20 10 DDCDLO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272559792 130039976 /nfs/dbraw/zinc/03/99/76/130039976.db2.gz SYTOSDSAPSTIFD-JSGCOSHPSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272559792 130039979 /nfs/dbraw/zinc/03/99/79/130039979.db2.gz SYTOSDSAPSTIFD-JSGCOSHPSA-N 1 2 321.373 1.627 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCc2[nH+]ccn2C)cc1F ZINC000264175279 408390389 /nfs/dbraw/zinc/39/03/89/408390389.db2.gz MISXKHSDFRLNRD-UHFFFAOYSA-N 1 2 305.357 1.625 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277610370 408976527 /nfs/dbraw/zinc/97/65/27/408976527.db2.gz PRUBXKJSBRPDLJ-UHFFFAOYSA-N 1 2 319.405 1.398 20 10 DDCDLO Cn1ncc2c1nc(NCCCSc1nccs1)[nH+]c2N ZINC000302881068 410884158 /nfs/dbraw/zinc/88/41/58/410884158.db2.gz ITYSAUUVQSIBFO-UHFFFAOYSA-N 1 2 321.435 1.996 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000366903187 418534425 /nfs/dbraw/zinc/53/44/25/418534425.db2.gz GATIDYJELLGKCT-SECBINFHSA-N 1 2 310.781 1.959 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000366903187 418534428 /nfs/dbraw/zinc/53/44/28/418534428.db2.gz GATIDYJELLGKCT-SECBINFHSA-N 1 2 310.781 1.959 20 10 DDCDLO NC(=O)C1(N2CC[NH+](Cc3cc(F)ccc3O)CC2)CCCC1 ZINC000374915241 418577679 /nfs/dbraw/zinc/57/76/79/418577679.db2.gz SWVOCTXCAYHITB-UHFFFAOYSA-N 1 2 321.396 1.447 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000374951929 418582579 /nfs/dbraw/zinc/58/25/79/418582579.db2.gz LJUOIESFZVCAAJ-AAEUAGOBSA-N 1 2 315.373 1.604 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000368375407 418720128 /nfs/dbraw/zinc/72/01/28/418720128.db2.gz UTTPBNABRFUHJN-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1OC ZINC000377303370 295004209 /nfs/dbraw/zinc/00/42/09/295004209.db2.gz CMNQYJYGIDWCOF-WIUDPPPLSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1OC ZINC000377303370 295004210 /nfs/dbraw/zinc/00/42/10/295004210.db2.gz CMNQYJYGIDWCOF-WIUDPPPLSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1OC ZINC000180043062 295004259 /nfs/dbraw/zinc/00/42/59/295004259.db2.gz BENFSIDXBKFZLS-HNNXBMFYSA-N 1 2 308.378 1.366 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1OC ZINC000180043062 295004262 /nfs/dbraw/zinc/00/42/62/295004262.db2.gz BENFSIDXBKFZLS-HNNXBMFYSA-N 1 2 308.378 1.366 20 10 DDCDLO COC(=O)COc1ccc([N@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000273116577 536478328 /nfs/dbraw/zinc/47/83/28/536478328.db2.gz QZJCCGJZVJCLCS-LBPRGKRZSA-N 1 2 307.346 1.628 20 10 DDCDLO COC(=O)COc1ccc([N@@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000273116577 536478331 /nfs/dbraw/zinc/47/83/31/536478331.db2.gz QZJCCGJZVJCLCS-LBPRGKRZSA-N 1 2 307.346 1.628 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000043312042 696153847 /nfs/dbraw/zinc/15/38/47/696153847.db2.gz KKKCWWNEFBLJSV-UHFFFAOYSA-N 1 2 301.394 1.791 20 10 DDCDLO O=C(NCCn1cc[nH+]c1)NCc1ccc(N2CCCC2)cc1 ZINC000043311009 696154087 /nfs/dbraw/zinc/15/40/87/696154087.db2.gz ANJVTPBCXJDNER-UHFFFAOYSA-N 1 2 313.405 1.983 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccccc1O ZINC000079312085 696459666 /nfs/dbraw/zinc/45/96/66/696459666.db2.gz SYSFYAODWXCSOS-ZDUSSCGKSA-N 1 2 307.394 1.254 20 10 DDCDLO CCNC(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000129178159 696786006 /nfs/dbraw/zinc/78/60/06/696786006.db2.gz ZEWIGUOGTYATEL-UHFFFAOYSA-N 1 2 311.813 1.299 20 10 DDCDLO COc1cccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000779666648 698451630 /nfs/dbraw/zinc/45/16/30/698451630.db2.gz VAZXUVUOROIHBO-GFCCVEGCSA-N 1 2 316.361 1.412 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547741 700627136 /nfs/dbraw/zinc/62/71/36/700627136.db2.gz GXOODVJRTCTZEO-UBHSHLNASA-N 1 2 321.377 1.814 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547741 700627137 /nfs/dbraw/zinc/62/71/37/700627137.db2.gz GXOODVJRTCTZEO-UBHSHLNASA-N 1 2 321.377 1.814 20 10 DDCDLO Cc1cc(N(C)C)ccc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000840917902 702278519 /nfs/dbraw/zinc/27/85/19/702278519.db2.gz VEFURDLHHQQKNP-QFIPXVFZSA-N 1 2 323.506 1.557 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435287 702881329 /nfs/dbraw/zinc/88/13/29/702881329.db2.gz RYBTUTFJIUARMR-ONGXEEELSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435287 702881332 /nfs/dbraw/zinc/88/13/32/702881332.db2.gz RYBTUTFJIUARMR-ONGXEEELSA-N 1 2 317.744 1.541 20 10 DDCDLO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2COC[C@H]2O1 ZINC000846118117 703239784 /nfs/dbraw/zinc/23/97/84/703239784.db2.gz LTVLUVPEWFMTEN-IAQYHMDHSA-N 1 2 307.346 1.499 20 10 DDCDLO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2COC[C@H]2O1 ZINC000846118117 703239787 /nfs/dbraw/zinc/23/97/87/703239787.db2.gz LTVLUVPEWFMTEN-IAQYHMDHSA-N 1 2 307.346 1.499 20 10 DDCDLO O[C@H](CNc1ccccc1OCC1CC1)C[NH+]1CCOCC1 ZINC000819451187 704127608 /nfs/dbraw/zinc/12/76/08/704127608.db2.gz LMHHGAHHYSRNDM-OAHLLOKOSA-N 1 2 306.406 1.580 20 10 DDCDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@H](C(=O)OC)C1 ZINC000877183767 706009746 /nfs/dbraw/zinc/00/97/46/706009746.db2.gz HXJSQBCJGLAURY-JSGCOSHPSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)[C@H](C(=O)OC)C1 ZINC000877183767 706009748 /nfs/dbraw/zinc/00/97/48/706009748.db2.gz HXJSQBCJGLAURY-JSGCOSHPSA-N 1 2 321.373 1.627 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000877703592 706182727 /nfs/dbraw/zinc/18/27/27/706182727.db2.gz AFMLSJYDRHHCBR-KRWDZBQOSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000877703592 706182729 /nfs/dbraw/zinc/18/27/29/706182729.db2.gz AFMLSJYDRHHCBR-KRWDZBQOSA-N 1 2 323.389 1.945 20 10 DDCDLO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccon3)cc2)CC1 ZINC000873050602 707710030 /nfs/dbraw/zinc/71/00/30/707710030.db2.gz YCPNNIWVHRIGLH-UHFFFAOYSA-N 1 2 321.402 1.199 20 10 DDCDLO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883146407 707940655 /nfs/dbraw/zinc/94/06/55/707940655.db2.gz MDQJSIBEPWKYHQ-UHFFFAOYSA-N 1 2 300.349 1.871 20 10 DDCDLO CCn1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000838790257 707979502 /nfs/dbraw/zinc/97/95/02/707979502.db2.gz XHXATEWJYUFFAU-UHFFFAOYSA-N 1 2 315.421 1.767 20 10 DDCDLO CCn1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000838790257 707979504 /nfs/dbraw/zinc/97/95/04/707979504.db2.gz XHXATEWJYUFFAU-UHFFFAOYSA-N 1 2 315.421 1.767 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(O)cc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000910945484 710126697 /nfs/dbraw/zinc/12/66/97/710126697.db2.gz AQDHGBWCVMPOMI-GJZGRUSLSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(O)cc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC000910945484 710126701 /nfs/dbraw/zinc/12/67/01/710126701.db2.gz AQDHGBWCVMPOMI-GJZGRUSLSA-N 1 2 322.405 1.603 20 10 DDCDLO Cn1nc(Br)nc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000894212494 711020014 /nfs/dbraw/zinc/02/00/14/711020014.db2.gz CQUNGMAUYXXWGK-UHFFFAOYSA-N 1 2 323.194 1.802 20 10 DDCDLO COCCn1c[nH+]cc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689721 779449089 /nfs/dbraw/zinc/44/90/89/779449089.db2.gz XDWQZKWJVJUVRS-HWKANZROSA-N 1 2 317.345 1.270 20 10 DDCDLO Oc1cccc(F)c1CN1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001276360178 855717354 /nfs/dbraw/zinc/71/73/54/855717354.db2.gz PYPPGBJHEOJKSI-UHFFFAOYSA-N 1 2 316.380 1.546 20 10 DDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356560 860073106 /nfs/dbraw/zinc/07/31/06/860073106.db2.gz RANDPGFDTHEGOR-MRXNPFEDSA-N 1 2 318.417 1.833 20 10 DDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356560 860073118 /nfs/dbraw/zinc/07/31/18/860073118.db2.gz RANDPGFDTHEGOR-MRXNPFEDSA-N 1 2 318.417 1.833 20 10 DDCDLO CN1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1=O ZINC001140661343 860669862 /nfs/dbraw/zinc/66/98/62/860669862.db2.gz BCJXPHJDOIMGSC-UHFFFAOYSA-N 1 2 321.396 1.326 20 10 DDCDLO CN1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1=O ZINC001140661343 860669867 /nfs/dbraw/zinc/66/98/67/860669867.db2.gz BCJXPHJDOIMGSC-UHFFFAOYSA-N 1 2 321.396 1.326 20 10 DDCDLO Cc1cc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)ncn1 ZINC001203878750 870813664 /nfs/dbraw/zinc/81/36/64/870813664.db2.gz BENOVBKBYUJDSJ-UHFFFAOYSA-N 1 2 300.362 1.518 20 10 DDCDLO Oc1ccc(CN2CC[NH+](CCc3ccccn3)CC2)c(O)c1 ZINC001204275061 871034143 /nfs/dbraw/zinc/03/41/43/871034143.db2.gz MZYRVVZOEBIIQZ-UHFFFAOYSA-N 1 2 313.401 1.853 20 10 DDCDLO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncc[nH]1 ZINC001207665234 873456108 /nfs/dbraw/zinc/45/61/08/873456108.db2.gz JFHQBGIPCRBBOE-MRXNPFEDSA-N 1 2 316.405 1.194 20 10 DDCDLO COCCN(C)C(=O)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277488706 885255617 /nfs/dbraw/zinc/25/56/17/885255617.db2.gz FLYOHRQWBCMEIL-ZDUSSCGKSA-N 1 2 322.380 1.458 20 10 DDCDLO COCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C1CC[NH+](C)CC1 ZINC001231450583 885669642 /nfs/dbraw/zinc/66/96/42/885669642.db2.gz GEONXAMRWUORPR-UHFFFAOYSA-N 1 2 322.405 1.633 20 10 DDCDLO COCC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C1CC[NH+](C)CC1 ZINC001231450583 885669647 /nfs/dbraw/zinc/66/96/47/885669647.db2.gz GEONXAMRWUORPR-UHFFFAOYSA-N 1 2 322.405 1.633 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001231856953 885911493 /nfs/dbraw/zinc/91/14/93/885911493.db2.gz RZXDSLMFNUUZGL-OKILXGFUSA-N 1 2 304.390 1.409 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001231856953 885911495 /nfs/dbraw/zinc/91/14/95/885911495.db2.gz RZXDSLMFNUUZGL-OKILXGFUSA-N 1 2 304.390 1.409 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)cc1Cl ZINC001231870178 885916269 /nfs/dbraw/zinc/91/62/69/885916269.db2.gz MMNQPMQWBSQKQV-LBPRGKRZSA-N 1 2 310.781 1.397 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)cc1Cl ZINC001231870178 885916288 /nfs/dbraw/zinc/91/62/88/885916288.db2.gz MMNQPMQWBSQKQV-LBPRGKRZSA-N 1 2 310.781 1.397 20 10 DDCDLO CN(C)C(=O)C1C[NH+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418770 886984582 /nfs/dbraw/zinc/98/45/82/886984582.db2.gz VSKHSLHUJKWANH-UHFFFAOYSA-N 1 2 302.296 1.931 20 10 DDCDLO CN1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233727997 887253722 /nfs/dbraw/zinc/25/37/22/887253722.db2.gz SQRGDUBMMHCFIT-UHFFFAOYSA-N 1 2 304.268 1.565 20 10 DDCDLO CN1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233727997 887253737 /nfs/dbraw/zinc/25/37/37/887253737.db2.gz SQRGDUBMMHCFIT-UHFFFAOYSA-N 1 2 304.268 1.565 20 10 DDCDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760302 887290314 /nfs/dbraw/zinc/29/03/14/887290314.db2.gz DIZXMQUDMNVAGU-SECBINFHSA-N 1 2 318.295 1.953 20 10 DDCDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760302 887290331 /nfs/dbraw/zinc/29/03/31/887290331.db2.gz DIZXMQUDMNVAGU-SECBINFHSA-N 1 2 318.295 1.953 20 10 DDCDLO Cc1cccc(O)c1C[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001237492481 889668376 /nfs/dbraw/zinc/66/83/76/889668376.db2.gz RDXUZBQJGSDAKL-LBPRGKRZSA-N 1 2 313.394 1.659 20 10 DDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CCn4c[nH+]cc4C3)cc2N1 ZINC000377359921 284830127 /nfs/dbraw/zinc/83/01/27/284830127.db2.gz MVFJQVXHLCIMDO-UHFFFAOYSA-N 1 2 315.289 1.142 20 10 DDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000280117388 130784452 /nfs/dbraw/zinc/78/44/52/130784452.db2.gz UYYLCKYMYSGHQV-AWEZNQCLSA-N 1 2 324.446 1.252 20 10 DDCDLO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(O)c1O ZINC000376172441 292069568 /nfs/dbraw/zinc/06/95/68/292069568.db2.gz MTOMZSRSCQSZQH-QWHCGFSZSA-N 1 2 320.389 1.341 20 10 DDCDLO CCN(CC)c1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1F ZINC000179833696 407834567 /nfs/dbraw/zinc/83/45/67/407834567.db2.gz BAFLJOGBURJNCT-UHFFFAOYSA-N 1 2 322.428 1.275 20 10 DDCDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccccc2O)CCO1 ZINC000263780612 408251773 /nfs/dbraw/zinc/25/17/73/408251773.db2.gz WDUPOJYMOBUHFX-UHFFFAOYSA-N 1 2 307.394 1.302 20 10 DDCDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccccc2O)CCO1 ZINC000263780612 408251777 /nfs/dbraw/zinc/25/17/77/408251777.db2.gz WDUPOJYMOBUHFX-UHFFFAOYSA-N 1 2 307.394 1.302 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276558065 408883197 /nfs/dbraw/zinc/88/31/97/408883197.db2.gz GCEWILPMADSUFM-UWVGGRQHSA-N 1 2 304.350 1.719 20 10 DDCDLO CC(C)n1cnnc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000291865866 408936199 /nfs/dbraw/zinc/93/61/99/408936199.db2.gz JIYKFDGEUNQJAI-UHFFFAOYSA-N 1 2 304.350 1.925 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000359958517 410972479 /nfs/dbraw/zinc/97/24/79/410972479.db2.gz KEQREOUZFVJMIH-LLVKDONJSA-N 1 2 312.753 1.691 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000359958517 410972486 /nfs/dbraw/zinc/97/24/86/410972486.db2.gz KEQREOUZFVJMIH-LLVKDONJSA-N 1 2 312.753 1.691 20 10 DDCDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373810231 418462334 /nfs/dbraw/zinc/46/23/34/418462334.db2.gz BDYBBHAYZDRDRG-QMMMGPOBSA-N 1 2 322.789 1.308 20 10 DDCDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373810231 418462336 /nfs/dbraw/zinc/46/23/36/418462336.db2.gz BDYBBHAYZDRDRG-QMMMGPOBSA-N 1 2 322.789 1.308 20 10 DDCDLO O=C1CO[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]2N1 ZINC000366775161 418516599 /nfs/dbraw/zinc/51/65/99/418516599.db2.gz MGPKCDHGXNIPOK-PWSUYJOCSA-N 1 2 314.744 1.274 20 10 DDCDLO O=C1CO[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]2N1 ZINC000366775161 418516601 /nfs/dbraw/zinc/51/66/01/418516601.db2.gz MGPKCDHGXNIPOK-PWSUYJOCSA-N 1 2 314.744 1.274 20 10 DDCDLO NC(=O)[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000366927528 418539138 /nfs/dbraw/zinc/53/91/38/418539138.db2.gz YKPIITIWVBREIG-ZDUSSCGKSA-N 1 2 319.188 1.511 20 10 DDCDLO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000366927528 418539145 /nfs/dbraw/zinc/53/91/45/418539145.db2.gz YKPIITIWVBREIG-ZDUSSCGKSA-N 1 2 319.188 1.511 20 10 DDCDLO COc1cncc(N2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC000378492664 418724461 /nfs/dbraw/zinc/72/44/61/418724461.db2.gz HMQQFVQSJILDAA-UHFFFAOYSA-N 1 2 318.352 1.652 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c(O)c1O ZINC000182326880 526164022 /nfs/dbraw/zinc/16/40/22/526164022.db2.gz MTQRMRKRIQOQSY-UHFFFAOYSA-N 1 2 308.378 1.247 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)c(O)c1O ZINC000182326880 526164026 /nfs/dbraw/zinc/16/40/26/526164026.db2.gz MTQRMRKRIQOQSY-UHFFFAOYSA-N 1 2 308.378 1.247 20 10 DDCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ncn(C)n1 ZINC000391923614 699099890 /nfs/dbraw/zinc/09/98/90/699099890.db2.gz HBGHPTZWGBAGEB-CYBMUJFWSA-N 1 2 301.394 1.503 20 10 DDCDLO C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@@H+]1CCO ZINC000792180865 699681060 /nfs/dbraw/zinc/68/10/60/699681060.db2.gz VNQGRCWYKSSLIZ-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@H+]1CCO ZINC000792180865 699681063 /nfs/dbraw/zinc/68/10/63/699681063.db2.gz VNQGRCWYKSSLIZ-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448697 701178000 /nfs/dbraw/zinc/17/80/00/701178000.db2.gz VNIQMKLDRKXIQK-XENSFLRJSA-N 1 2 311.403 1.159 20 10 DDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448697 701178002 /nfs/dbraw/zinc/17/80/02/701178002.db2.gz VNIQMKLDRKXIQK-XENSFLRJSA-N 1 2 311.403 1.159 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000840083943 701958301 /nfs/dbraw/zinc/95/83/01/701958301.db2.gz OYNHHQBBLQKDDV-UHFFFAOYSA-N 1 2 316.405 1.805 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000840083943 701958303 /nfs/dbraw/zinc/95/83/03/701958303.db2.gz OYNHHQBBLQKDDV-UHFFFAOYSA-N 1 2 316.405 1.805 20 10 DDCDLO CC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc(Cl)c1O ZINC000840803996 702243808 /nfs/dbraw/zinc/24/38/08/702243808.db2.gz XHYJGXCSKMXNCB-GXFFZTMASA-N 1 2 310.785 1.739 20 10 DDCDLO Cc1nn(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c(=O)n1C ZINC000844690320 703055861 /nfs/dbraw/zinc/05/58/61/703055861.db2.gz UBMKFHCUNOAEJR-UHFFFAOYSA-N 1 2 317.437 1.824 20 10 DDCDLO Cc1nn(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c(=O)n1C ZINC000844690320 703055862 /nfs/dbraw/zinc/05/58/62/703055862.db2.gz UBMKFHCUNOAEJR-UHFFFAOYSA-N 1 2 317.437 1.824 20 10 DDCDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(Br)ccc1O ZINC000846102382 703238442 /nfs/dbraw/zinc/23/84/42/703238442.db2.gz DXYOYHKBVKSWKW-PSVSLLHZSA-N 1 2 316.220 1.860 20 10 DDCDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(Br)ccc1O ZINC000846102382 703238444 /nfs/dbraw/zinc/23/84/44/703238444.db2.gz DXYOYHKBVKSWKW-PSVSLLHZSA-N 1 2 316.220 1.860 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867302697 706952955 /nfs/dbraw/zinc/95/29/55/706952955.db2.gz SQAQKMKKFYJGNV-IBUXWKBASA-N 1 2 320.389 1.033 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1F ZINC000862437025 705717808 /nfs/dbraw/zinc/71/78/08/705717808.db2.gz NUIOGWADASVGOJ-UHFFFAOYSA-N 1 2 316.384 1.399 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nccn2C)ccc1[N+](=O)[O-] ZINC000827722515 706056945 /nfs/dbraw/zinc/05/69/45/706056945.db2.gz LHJILKCAGVKVGZ-VIFPVBQESA-N 1 2 306.322 1.893 20 10 DDCDLO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883145040 707940267 /nfs/dbraw/zinc/94/02/67/707940267.db2.gz KRTBWCCAOMBSTR-LHLIQPBNSA-N 1 2 324.602 1.639 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1c(O)cccc1F ZINC000886651397 708805956 /nfs/dbraw/zinc/80/59/56/708805956.db2.gz DBPYSUWHEXHSQJ-VIFPVBQESA-N 1 2 317.324 1.124 20 10 DDCDLO COCCN1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891539600 710230805 /nfs/dbraw/zinc/23/08/05/710230805.db2.gz CLTYJUZZJNBEDA-UHFFFAOYSA-N 1 2 310.394 1.173 20 10 DDCDLO Cc1ccc(O)c(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c1 ZINC000918004560 713524143 /nfs/dbraw/zinc/52/41/43/713524143.db2.gz RIPZEPQCZWWETH-INIZCTEOSA-N 1 2 324.446 1.606 20 10 DDCDLO O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001148583757 773538711 /nfs/dbraw/zinc/53/87/11/773538711.db2.gz AARCJFGPCBNYFP-SECBINFHSA-N 1 2 303.318 1.546 20 10 DDCDLO Fc1cc(CN2CCn3c[nH+]cc3C2)ccc1N1CCOCC1 ZINC001117682925 780878896 /nfs/dbraw/zinc/87/88/96/780878896.db2.gz RAQWICRDEWMWRV-UHFFFAOYSA-N 1 2 316.380 1.875 20 10 DDCDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccccc1O ZINC001119035403 781305568 /nfs/dbraw/zinc/30/55/68/781305568.db2.gz PGOBZGDSYLXGQF-STQMWFEESA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccccc1O ZINC001119035403 781305576 /nfs/dbraw/zinc/30/55/76/781305576.db2.gz PGOBZGDSYLXGQF-STQMWFEESA-N 1 2 307.394 1.473 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001139125424 860296965 /nfs/dbraw/zinc/29/69/65/860296965.db2.gz UYKFNTGDZLOOEK-KRWDZBQOSA-N 1 2 319.357 1.390 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCOC[C@@](C)(O)C1 ZINC001139125424 860296970 /nfs/dbraw/zinc/29/69/70/860296970.db2.gz UYKFNTGDZLOOEK-KRWDZBQOSA-N 1 2 319.357 1.390 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2nnc(C)n2C)ccc1[N+](=O)[O-] ZINC001339288411 870436978 /nfs/dbraw/zinc/43/69/78/870436978.db2.gz RFMDQVRQRIXYDN-UHFFFAOYSA-N 1 2 307.310 1.036 20 10 DDCDLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203877417 870813989 /nfs/dbraw/zinc/81/39/89/870813989.db2.gz RTMRBCDJJCNQBE-AWEZNQCLSA-N 1 2 317.389 1.963 20 10 DDCDLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203877417 870813998 /nfs/dbraw/zinc/81/39/98/870813998.db2.gz RTMRBCDJJCNQBE-AWEZNQCLSA-N 1 2 317.389 1.963 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCN1C ZINC001232262608 886195238 /nfs/dbraw/zinc/19/52/38/886195238.db2.gz LGASZPPIWPCWQH-NSHDSACASA-N 1 2 314.769 1.040 20 10 DDCDLO CC[N@H+](CCC(N)=O)Cc1c(O)cc(Br)cc1F ZINC001233030972 886739556 /nfs/dbraw/zinc/73/95/56/886739556.db2.gz ULMDKTUEOBSVQW-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO CC[N@@H+](CCC(N)=O)Cc1c(O)cc(Br)cc1F ZINC001233030972 886739565 /nfs/dbraw/zinc/73/95/65/886739565.db2.gz ULMDKTUEOBSVQW-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO CN(C)C(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233336523 886931022 /nfs/dbraw/zinc/93/10/22/886931022.db2.gz OMTHNYATNZZXJB-UHFFFAOYSA-N 1 2 313.348 1.906 20 10 DDCDLO Oc1cc(O)c(CN2CC[NH+](Cc3ccncc3)CC2)cc1O ZINC001233485375 887019676 /nfs/dbraw/zinc/01/96/76/887019676.db2.gz SZZNVBSNQWYILE-UHFFFAOYSA-N 1 2 315.373 1.516 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(F)c1O ZINC001237624102 889766542 /nfs/dbraw/zinc/76/65/42/889766542.db2.gz YGFLQEGJURAQRT-LBPRGKRZSA-N 1 2 316.760 1.474 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(Cl)cc(F)c1O ZINC001237624102 889766545 /nfs/dbraw/zinc/76/65/45/889766545.db2.gz YGFLQEGJURAQRT-LBPRGKRZSA-N 1 2 316.760 1.474 20 10 DDCDLO COc1cc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237678202 889799070 /nfs/dbraw/zinc/79/90/70/889799070.db2.gz KYUXIZQADCNTFZ-GFCCVEGCSA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237678202 889799078 /nfs/dbraw/zinc/79/90/78/889799078.db2.gz KYUXIZQADCNTFZ-GFCCVEGCSA-N 1 2 306.362 1.216 20 10 DDCDLO CCOC(=O)Cn1ccc2c1ncnc2-c1c[nH+]c(N)cc1C ZINC001242078597 891337551 /nfs/dbraw/zinc/33/75/51/891337551.db2.gz NKYQNPAXAJALAU-UHFFFAOYSA-N 1 2 311.345 1.947 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000125771593 407397073 /nfs/dbraw/zinc/39/70/73/407397073.db2.gz WHNRULJGHMGIQZ-IUODEOHRSA-N 1 2 310.369 1.654 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000125771593 407397074 /nfs/dbraw/zinc/39/70/74/407397074.db2.gz WHNRULJGHMGIQZ-IUODEOHRSA-N 1 2 310.369 1.654 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1F ZINC000136004870 408067091 /nfs/dbraw/zinc/06/70/91/408067091.db2.gz GOCZMNBSXVBVAM-CYBMUJFWSA-N 1 2 316.380 1.967 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c1O ZINC000276293232 408830513 /nfs/dbraw/zinc/83/05/13/408830513.db2.gz UAELMJAMTAVYSX-OCCSQVGLSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c1O ZINC000276293232 408830516 /nfs/dbraw/zinc/83/05/16/408830516.db2.gz UAELMJAMTAVYSX-OCCSQVGLSA-N 1 2 309.362 1.289 20 10 DDCDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278261104 409078020 /nfs/dbraw/zinc/07/80/20/409078020.db2.gz QJYQJYGVRHVXMX-LBPRGKRZSA-N 1 2 323.349 1.410 20 10 DDCDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278261104 409078023 /nfs/dbraw/zinc/07/80/23/409078023.db2.gz QJYQJYGVRHVXMX-LBPRGKRZSA-N 1 2 323.349 1.410 20 10 DDCDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)[S@@]1=O ZINC000289907226 409289211 /nfs/dbraw/zinc/28/92/11/409289211.db2.gz XASUILFOXJHDKQ-VPOQAHPWSA-N 1 2 311.403 1.852 20 10 DDCDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)[S@@]1=O ZINC000289907226 409289214 /nfs/dbraw/zinc/28/92/14/409289214.db2.gz XASUILFOXJHDKQ-VPOQAHPWSA-N 1 2 311.403 1.852 20 10 DDCDLO COc1ccc2c(c1)CCCCN2C[C@@H](O)C[NH+]1CCOCC1 ZINC000374295463 418514839 /nfs/dbraw/zinc/51/48/39/418514839.db2.gz MPWYOZTUZSHRIL-INIZCTEOSA-N 1 2 320.433 1.531 20 10 DDCDLO CCCN(Cc1ccccc1O)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188479141 222014778 /nfs/dbraw/zinc/01/47/78/222014778.db2.gz YWSKGCPOKYRYEE-UHFFFAOYSA-N 1 2 314.389 1.813 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC000191101601 222096980 /nfs/dbraw/zinc/09/69/80/222096980.db2.gz DDWXDGBQHWZWJO-UHFFFAOYSA-N 1 2 310.781 1.912 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC000191101601 222096982 /nfs/dbraw/zinc/09/69/82/222096982.db2.gz DDWXDGBQHWZWJO-UHFFFAOYSA-N 1 2 310.781 1.912 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368414 418744168 /nfs/dbraw/zinc/74/41/68/418744168.db2.gz TZXDPQSSKXXUEO-JKSUJKDBSA-N 1 2 306.406 1.905 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368414 418744169 /nfs/dbraw/zinc/74/41/69/418744169.db2.gz TZXDPQSSKXXUEO-JKSUJKDBSA-N 1 2 306.406 1.905 20 10 DDCDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000778583276 698350207 /nfs/dbraw/zinc/35/02/07/698350207.db2.gz SLDGZGYMMYULJN-GFCCVEGCSA-N 1 2 323.780 1.837 20 10 DDCDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000778583276 698350211 /nfs/dbraw/zinc/35/02/11/698350211.db2.gz SLDGZGYMMYULJN-GFCCVEGCSA-N 1 2 323.780 1.837 20 10 DDCDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000703131172 699235266 /nfs/dbraw/zinc/23/52/66/699235266.db2.gz INJRIIYALXOWSV-NSHDSACASA-N 1 2 302.371 1.045 20 10 DDCDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000703131172 699235268 /nfs/dbraw/zinc/23/52/68/699235268.db2.gz INJRIIYALXOWSV-NSHDSACASA-N 1 2 302.371 1.045 20 10 DDCDLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000708309235 699250061 /nfs/dbraw/zinc/25/00/61/699250061.db2.gz YFQAJZZUKNKFBC-UHFFFAOYSA-N 1 2 306.815 1.463 20 10 DDCDLO NS(=O)(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816586231 702120122 /nfs/dbraw/zinc/12/01/22/702120122.db2.gz DEHUSSHOPVIRLH-UHFFFAOYSA-N 1 2 322.789 1.438 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)c(Cl)c1 ZINC000840917876 702278750 /nfs/dbraw/zinc/27/87/50/702278750.db2.gz UJKDAGKWJSCLID-LLVKDONJSA-N 1 2 312.797 1.379 20 10 DDCDLO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000846036233 703229473 /nfs/dbraw/zinc/22/94/73/703229473.db2.gz YZVFLJPKCZSUAC-JTQLQIEISA-N 1 2 322.789 1.308 20 10 DDCDLO CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(N)cc1 ZINC000877075831 705977391 /nfs/dbraw/zinc/97/73/91/705977391.db2.gz JDSIFWIAVSCAPE-MRXNPFEDSA-N 1 2 303.406 1.875 20 10 DDCDLO CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(N)cc1 ZINC000877075831 705977394 /nfs/dbraw/zinc/97/73/94/705977394.db2.gz JDSIFWIAVSCAPE-MRXNPFEDSA-N 1 2 303.406 1.875 20 10 DDCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(F)cn1 ZINC000827679082 706048390 /nfs/dbraw/zinc/04/83/90/706048390.db2.gz JRTNQYNZZFMBMJ-AWEZNQCLSA-N 1 2 317.364 1.878 20 10 DDCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(F)cn1 ZINC000827679082 706048392 /nfs/dbraw/zinc/04/83/92/706048392.db2.gz JRTNQYNZZFMBMJ-AWEZNQCLSA-N 1 2 317.364 1.878 20 10 DDCDLO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000877726956 706191779 /nfs/dbraw/zinc/19/17/79/706191779.db2.gz OFDNUGJEGZEELY-AMIZOPFISA-N 1 2 317.744 1.852 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]2C1 ZINC000877791322 706215904 /nfs/dbraw/zinc/21/59/04/706215904.db2.gz JEEKPIRFUOZATN-VXGBXAGGSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]2C1 ZINC000877791322 706215905 /nfs/dbraw/zinc/21/59/05/706215905.db2.gz JEEKPIRFUOZATN-VXGBXAGGSA-N 1 2 315.822 1.912 20 10 DDCDLO COc1ccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000829869583 706411107 /nfs/dbraw/zinc/41/11/07/706411107.db2.gz WBVHVZGVLSYESL-UHFFFAOYSA-N 1 2 318.352 1.449 20 10 DDCDLO OCC1CCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cc2)CC1 ZINC000894202781 711014626 /nfs/dbraw/zinc/01/46/26/711014626.db2.gz LKIYEPOUYQKBTC-UHFFFAOYSA-N 1 2 300.406 1.908 20 10 DDCDLO NC(=O)C1([NH2+]Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894453555 711127234 /nfs/dbraw/zinc/12/72/34/711127234.db2.gz HQUANBKZDLAWEO-UHFFFAOYSA-N 1 2 319.586 1.916 20 10 DDCDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894842282 711292882 /nfs/dbraw/zinc/29/28/82/711292882.db2.gz AEQXESDHBZXUGS-SECBINFHSA-N 1 2 305.346 1.537 20 10 DDCDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894842282 711292884 /nfs/dbraw/zinc/29/28/84/711292884.db2.gz AEQXESDHBZXUGS-SECBINFHSA-N 1 2 305.346 1.537 20 10 DDCDLO COCc1ncc2c(n1)CC[N@@H+](Cc1c(O)cccc1OC)C2 ZINC000895415997 711506995 /nfs/dbraw/zinc/50/69/95/711506995.db2.gz UKFYZUCCSIUDJG-UHFFFAOYSA-N 1 2 315.373 1.896 20 10 DDCDLO COCc1ncc2c(n1)CC[N@H+](Cc1c(O)cccc1OC)C2 ZINC000895415997 711506998 /nfs/dbraw/zinc/50/69/98/711506998.db2.gz UKFYZUCCSIUDJG-UHFFFAOYSA-N 1 2 315.373 1.896 20 10 DDCDLO COC(=O)C1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC001203635542 744362815 /nfs/dbraw/zinc/36/28/15/744362815.db2.gz ABNIQMQKGDKYJM-UHFFFAOYSA-N 1 2 300.152 1.760 20 10 DDCDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(O)c1O ZINC001148225267 773402799 /nfs/dbraw/zinc/40/27/99/773402799.db2.gz ISGRUCVBXFGAEW-AWEZNQCLSA-N 1 2 322.405 1.575 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC001180129757 779616070 /nfs/dbraw/zinc/61/60/70/779616070.db2.gz FZSACDDPUNXPHK-FSNWXROXSA-N 1 2 303.406 1.213 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC001180129757 779616075 /nfs/dbraw/zinc/61/60/75/779616075.db2.gz FZSACDDPUNXPHK-FSNWXROXSA-N 1 2 303.406 1.213 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC001327574379 862285828 /nfs/dbraw/zinc/28/58/28/862285828.db2.gz UJAJPOTWRYIAMR-KRWDZBQOSA-N 1 2 303.406 1.234 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC001327574379 862285843 /nfs/dbraw/zinc/28/58/43/862285843.db2.gz UJAJPOTWRYIAMR-KRWDZBQOSA-N 1 2 303.406 1.234 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140620837 860664856 /nfs/dbraw/zinc/66/48/56/860664856.db2.gz CXXWIANFOYZLBV-CQSZACIVSA-N 1 2 302.378 1.575 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140620837 860664857 /nfs/dbraw/zinc/66/48/57/860664857.db2.gz CXXWIANFOYZLBV-CQSZACIVSA-N 1 2 302.378 1.575 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)C4=O)ccc21 ZINC001141145660 860795145 /nfs/dbraw/zinc/79/51/45/860795145.db2.gz FRBUKNHPUXJACT-OKILXGFUSA-N 1 2 302.374 1.163 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3C[C@@H]4COC[C@H](C3)C4=O)ccc21 ZINC001141145660 860795148 /nfs/dbraw/zinc/79/51/48/860795148.db2.gz FRBUKNHPUXJACT-OKILXGFUSA-N 1 2 302.374 1.163 20 10 DDCDLO O=C1NC(=O)[C@@]2(CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2O)N1 ZINC001205716316 871738633 /nfs/dbraw/zinc/73/86/33/871738633.db2.gz HOSRFBARYCHNAW-BONVTDFDSA-N 1 2 323.780 1.514 20 10 DDCDLO Oc1c(F)cccc1C[NH+]1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001276537915 873343297 /nfs/dbraw/zinc/34/32/97/873343297.db2.gz PQVLNCCHRCFTPB-UHFFFAOYSA-N 1 2 302.353 1.572 20 10 DDCDLO [NH3+]C1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CC1 ZINC001218920925 877808223 /nfs/dbraw/zinc/80/82/23/877808223.db2.gz OXSTVXZJWLMJBU-UHFFFAOYSA-N 1 2 322.320 1.597 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCC1=O ZINC001231843505 885900942 /nfs/dbraw/zinc/90/09/42/885900942.db2.gz ZVBZNSXIZXWDFO-CQSZACIVSA-N 1 2 305.374 1.963 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)CCC1=O ZINC001231843505 885900954 /nfs/dbraw/zinc/90/09/54/885900954.db2.gz ZVBZNSXIZXWDFO-CQSZACIVSA-N 1 2 305.374 1.963 20 10 DDCDLO COC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237671665 889792503 /nfs/dbraw/zinc/79/25/03/889792503.db2.gz DPZABLFKUBSUFR-UHFFFAOYSA-N 1 2 310.350 1.293 20 10 DDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249245072 893891889 /nfs/dbraw/zinc/89/18/89/893891889.db2.gz WDWPXRWZPHMWEU-NSHDSACASA-N 1 2 302.374 1.897 20 10 DDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249245072 893891910 /nfs/dbraw/zinc/89/19/10/893891910.db2.gz WDWPXRWZPHMWEU-NSHDSACASA-N 1 2 302.374 1.897 20 10 DDCDLO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000275709273 130368698 /nfs/dbraw/zinc/36/86/98/130368698.db2.gz YDTXFRBCBKXSJY-JSGCOSHPSA-N 1 2 318.333 1.654 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1OC ZINC000271095131 407510493 /nfs/dbraw/zinc/51/04/93/407510493.db2.gz MNCHJFYKEVTSDB-UHFFFAOYSA-N 1 2 322.405 1.710 20 10 DDCDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cccc(O)c1O ZINC000186883298 407789456 /nfs/dbraw/zinc/78/94/56/407789456.db2.gz JLKSHFJVZRQLTC-UHFFFAOYSA-N 1 2 310.313 1.609 20 10 DDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000291087159 408858993 /nfs/dbraw/zinc/85/89/93/408858993.db2.gz SCYILAISFBDPPC-UHFFFAOYSA-N 1 2 323.400 1.985 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC[C@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000278128087 409069286 /nfs/dbraw/zinc/06/92/86/409069286.db2.gz BTLANKMKBHHPEM-OAHLLOKOSA-N 1 2 322.317 1.591 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCC[C@]23CCOC3=O)ccc1[N+](=O)[O-] ZINC000278128087 409069288 /nfs/dbraw/zinc/06/92/88/409069288.db2.gz BTLANKMKBHHPEM-OAHLLOKOSA-N 1 2 322.317 1.591 20 10 DDCDLO COc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC000373666723 418444505 /nfs/dbraw/zinc/44/45/05/418444505.db2.gz HGNPCPOAPWBFKP-GFCCVEGCSA-N 1 2 301.346 1.476 20 10 DDCDLO O=C1CO[C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]2N1 ZINC000366775162 418516346 /nfs/dbraw/zinc/51/63/46/418516346.db2.gz MGPKCDHGXNIPOK-ZYHUDNBSSA-N 1 2 314.744 1.274 20 10 DDCDLO O=C1CO[C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]2N1 ZINC000366775162 418516349 /nfs/dbraw/zinc/51/63/49/418516349.db2.gz MGPKCDHGXNIPOK-ZYHUDNBSSA-N 1 2 314.744 1.274 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC3)CC2)cc1F ZINC000267997940 222408225 /nfs/dbraw/zinc/40/82/25/222408225.db2.gz ZUJGGWMLQVKJNB-UHFFFAOYSA-N 1 2 307.369 1.189 20 10 DDCDLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000280780369 289942607 /nfs/dbraw/zinc/94/26/07/289942607.db2.gz GVLKVVSGYZOQMR-ZETCQYMHSA-N 1 2 303.265 1.332 20 10 DDCDLO Cc1nonc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265648192 526702605 /nfs/dbraw/zinc/70/26/05/526702605.db2.gz MTLGPHUMEWNMNW-UHFFFAOYSA-N 1 2 302.378 1.847 20 10 DDCDLO Cc1nonc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265648192 526702611 /nfs/dbraw/zinc/70/26/11/526702611.db2.gz MTLGPHUMEWNMNW-UHFFFAOYSA-N 1 2 302.378 1.847 20 10 DDCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000050926872 696235322 /nfs/dbraw/zinc/23/53/22/696235322.db2.gz CICZMVPXGQGGAR-CYBMUJFWSA-N 1 2 308.378 1.081 20 10 DDCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000050926872 696235326 /nfs/dbraw/zinc/23/53/26/696235326.db2.gz CICZMVPXGQGGAR-CYBMUJFWSA-N 1 2 308.378 1.081 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](CO)O1 ZINC000787417678 699210892 /nfs/dbraw/zinc/21/08/92/699210892.db2.gz MSUTYQAPBZFNGN-UKRRQHHQSA-N 1 2 324.396 1.244 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](CO)O1 ZINC000787417678 699210894 /nfs/dbraw/zinc/21/08/94/699210894.db2.gz MSUTYQAPBZFNGN-UKRRQHHQSA-N 1 2 324.396 1.244 20 10 DDCDLO C[C@](O)(CO)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098988 699248603 /nfs/dbraw/zinc/24/86/03/699248603.db2.gz OAOXFUFJEUFQGC-LLVKDONJSA-N 1 2 324.602 1.641 20 10 DDCDLO O=C1NCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715818753 699277327 /nfs/dbraw/zinc/27/73/27/699277327.db2.gz RBXJNBXCZCPFCN-VIFPVBQESA-N 1 2 303.131 1.272 20 10 DDCDLO CCn1ncnc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000794839966 699832544 /nfs/dbraw/zinc/83/25/44/699832544.db2.gz GWCBDCKUIHPBCD-SNVBAGLBSA-N 1 2 304.350 1.641 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CCCC3)C1)[C@H](O)CO2 ZINC000768451317 701178368 /nfs/dbraw/zinc/17/83/68/701178368.db2.gz MOTOJWXSJLFDBZ-CZUORRHYSA-N 1 2 304.390 1.488 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CC[C@@H](N3CCCC3)C1)[C@H](O)CO2 ZINC000768451317 701178370 /nfs/dbraw/zinc/17/83/70/701178370.db2.gz MOTOJWXSJLFDBZ-CZUORRHYSA-N 1 2 304.390 1.488 20 10 DDCDLO CC[N@H+](Cc1c(O)cccc1OC)[C@@H](C)CS(C)(=O)=O ZINC000769428325 701244661 /nfs/dbraw/zinc/24/46/61/701244661.db2.gz YHIGYMNGIOAJCU-NSHDSACASA-N 1 2 301.408 1.656 20 10 DDCDLO CC[N@@H+](Cc1c(O)cccc1OC)[C@@H](C)CS(C)(=O)=O ZINC000769428325 701244662 /nfs/dbraw/zinc/24/46/62/701244662.db2.gz YHIGYMNGIOAJCU-NSHDSACASA-N 1 2 301.408 1.656 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000769468303 701246442 /nfs/dbraw/zinc/24/64/42/701246442.db2.gz XTFHTLKXYJVEJU-HNNXBMFYSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000769468303 701246443 /nfs/dbraw/zinc/24/64/43/701246443.db2.gz XTFHTLKXYJVEJU-HNNXBMFYSA-N 1 2 309.362 1.555 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@@H](C)O1 ZINC000839573936 701742131 /nfs/dbraw/zinc/74/21/31/701742131.db2.gz HSGUMGWFLDZJAB-QLFBSQMISA-N 1 2 319.449 1.867 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@@H](C)O1 ZINC000839573936 701742135 /nfs/dbraw/zinc/74/21/35/701742135.db2.gz HSGUMGWFLDZJAB-QLFBSQMISA-N 1 2 319.449 1.867 20 10 DDCDLO CC[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc(Cl)c1O ZINC000840803998 702244617 /nfs/dbraw/zinc/24/46/17/702244617.db2.gz XHYJGXCSKMXNCB-ZWNOBZJWSA-N 1 2 310.785 1.739 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433753 702880961 /nfs/dbraw/zinc/88/09/61/702880961.db2.gz JNTCCEHIRIWWAJ-DTWKUNHWSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433753 702880963 /nfs/dbraw/zinc/88/09/63/702880963.db2.gz JNTCCEHIRIWWAJ-DTWKUNHWSA-N 1 2 317.744 1.541 20 10 DDCDLO COCCCOc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819420799 704122907 /nfs/dbraw/zinc/12/29/07/704122907.db2.gz BOVJSZBFYHIPMX-HNNXBMFYSA-N 1 2 324.421 1.207 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000858235593 704683010 /nfs/dbraw/zinc/68/30/10/704683010.db2.gz NCKGLALKKQSHPW-UONOGXRCSA-N 1 2 321.421 1.609 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000858373432 704701755 /nfs/dbraw/zinc/70/17/55/704701755.db2.gz GDQCCLIBEJJZMM-ZDUSSCGKSA-N 1 2 300.362 1.711 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000825709558 705719383 /nfs/dbraw/zinc/71/93/83/705719383.db2.gz XDUKRSPZCODXHP-VIFPVBQESA-N 1 2 305.309 1.980 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535296 705728426 /nfs/dbraw/zinc/72/84/26/705728426.db2.gz IEYJBXZCMAEXIV-CWDCEQMOSA-N 1 2 303.406 1.342 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535296 705728427 /nfs/dbraw/zinc/72/84/27/705728427.db2.gz IEYJBXZCMAEXIV-CWDCEQMOSA-N 1 2 303.406 1.342 20 10 DDCDLO Cc1cccc(O)c1C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000876751840 705857567 /nfs/dbraw/zinc/85/75/67/705857567.db2.gz ZCHBGEKRAIGJMB-UHFFFAOYSA-N 1 2 300.362 1.283 20 10 DDCDLO Cc1cccc(O)c1C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000876751840 705857571 /nfs/dbraw/zinc/85/75/71/705857571.db2.gz ZCHBGEKRAIGJMB-UHFFFAOYSA-N 1 2 300.362 1.283 20 10 DDCDLO O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCCN1 ZINC000877479844 706118482 /nfs/dbraw/zinc/11/84/82/706118482.db2.gz ZTNORJDWXQIBPE-JTQLQIEISA-N 1 2 313.195 1.913 20 10 DDCDLO CN(C)c1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000883992372 708094525 /nfs/dbraw/zinc/09/45/25/708094525.db2.gz MOBZOGMBKFDYFK-UHFFFAOYSA-N 1 2 315.421 1.349 20 10 DDCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000898214622 708575328 /nfs/dbraw/zinc/57/53/28/708575328.db2.gz FZQLXRKEDOFXAC-MWLCHTKSSA-N 1 2 303.811 1.958 20 10 DDCDLO CCNC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891528310 710227530 /nfs/dbraw/zinc/22/75/30/710227530.db2.gz HDEAEXRVHHXJSC-UHFFFAOYSA-N 1 2 323.393 1.257 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895703308 711582963 /nfs/dbraw/zinc/58/29/63/711582963.db2.gz KSFISWKMDMVWAK-CYBMUJFWSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895703308 711582965 /nfs/dbraw/zinc/58/29/65/711582965.db2.gz KSFISWKMDMVWAK-CYBMUJFWSA-N 1 2 303.717 1.295 20 10 DDCDLO COc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(O)c1O ZINC001193097625 745976778 /nfs/dbraw/zinc/97/67/78/745976778.db2.gz JPYPQBCLYLSKQR-JTQLQIEISA-N 1 2 317.345 1.849 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)NC(C)C)CC2)cc1 ZINC001116352522 780498785 /nfs/dbraw/zinc/49/87/85/780498785.db2.gz ZFPYJNUZDMADCP-UHFFFAOYSA-N 1 2 305.422 1.732 20 10 DDCDLO CN1C[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3F)C2)OCC1=O ZINC001274148973 851976008 /nfs/dbraw/zinc/97/60/08/851976008.db2.gz DFRUDGVDRFXXEG-OAHLLOKOSA-N 1 2 312.316 1.104 20 10 DDCDLO CN1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)OCC1=O ZINC001274148973 851976010 /nfs/dbraw/zinc/97/60/10/851976010.db2.gz DFRUDGVDRFXXEG-OAHLLOKOSA-N 1 2 312.316 1.104 20 10 DDCDLO COc1cc(N2CC[NH+](Cc3cccc(F)c3O)CC2)ncn1 ZINC000764676352 881349594 /nfs/dbraw/zinc/34/95/94/881349594.db2.gz KILPNWXYLORWNB-UHFFFAOYSA-N 1 2 318.352 1.652 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(CC(F)F)CC2)c(OC)c1 ZINC001141029638 860766665 /nfs/dbraw/zinc/76/66/65/860766665.db2.gz YPBACEBYYAEWIJ-UHFFFAOYSA-N 1 2 316.348 1.792 20 10 DDCDLO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910438 885940121 /nfs/dbraw/zinc/94/01/21/885940121.db2.gz PURHJASFMDMJCM-CZUORRHYSA-N 1 2 324.808 1.773 20 10 DDCDLO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910438 885940132 /nfs/dbraw/zinc/94/01/32/885940132.db2.gz PURHJASFMDMJCM-CZUORRHYSA-N 1 2 324.808 1.773 20 10 DDCDLO COC(=O)c1c(C[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc2n1C ZINC001232402594 886338575 /nfs/dbraw/zinc/33/85/75/886338575.db2.gz YPWLBODIMDTBIG-AWEZNQCLSA-N 1 2 315.373 1.415 20 10 DDCDLO COC(=O)c1c(C[N@H+]2CCC[C@H]2C(N)=O)c2ccccc2n1C ZINC001232402594 886338594 /nfs/dbraw/zinc/33/85/94/886338594.db2.gz YPWLBODIMDTBIG-AWEZNQCLSA-N 1 2 315.373 1.415 20 10 DDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cccnn2)CC1 ZINC001233335362 886928076 /nfs/dbraw/zinc/92/80/76/886928076.db2.gz RUUKNTMWLALJMT-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO CCOC(=O)C[N@H+](CC)Cc1ccc(CC(=O)OC)cc1O ZINC001249214066 893870072 /nfs/dbraw/zinc/87/00/72/893870072.db2.gz FFDZZFPFEXAAQO-UHFFFAOYSA-N 1 2 309.362 1.493 20 10 DDCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(CC(=O)OC)cc1O ZINC001249214066 893870091 /nfs/dbraw/zinc/87/00/91/893870091.db2.gz FFDZZFPFEXAAQO-UHFFFAOYSA-N 1 2 309.362 1.493 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000091864529 193119571 /nfs/dbraw/zinc/11/95/71/193119571.db2.gz KOGODHQSCPTIFN-CQSZACIVSA-N 1 2 320.412 1.881 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000091864529 193119572 /nfs/dbraw/zinc/11/95/72/193119572.db2.gz KOGODHQSCPTIFN-CQSZACIVSA-N 1 2 320.412 1.881 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288466001 131326499 /nfs/dbraw/zinc/32/64/99/131326499.db2.gz FGCNWFQQTAADJC-CJNGLKHVSA-N 1 2 316.313 1.885 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000297896222 132039195 /nfs/dbraw/zinc/03/91/95/132039195.db2.gz OLNIHXJHBDAFGZ-ZIAGYGMSSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000297896222 132039197 /nfs/dbraw/zinc/03/91/97/132039197.db2.gz OLNIHXJHBDAFGZ-ZIAGYGMSSA-N 1 2 305.422 1.478 20 10 DDCDLO CCn1ncnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000193298518 408711265 /nfs/dbraw/zinc/71/12/65/408711265.db2.gz HAWZXRBQSVAGMI-UHFFFAOYSA-N 1 2 315.421 1.767 20 10 DDCDLO CCn1ncnc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000193298518 408711273 /nfs/dbraw/zinc/71/12/73/408711273.db2.gz HAWZXRBQSVAGMI-UHFFFAOYSA-N 1 2 315.421 1.767 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c1 ZINC000276241502 408826830 /nfs/dbraw/zinc/82/68/30/408826830.db2.gz OGOLWBMFLMOGTJ-LSDHHAIUSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c1 ZINC000276241502 408826831 /nfs/dbraw/zinc/82/68/31/408826831.db2.gz OGOLWBMFLMOGTJ-LSDHHAIUSA-N 1 2 309.362 1.289 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000276583085 408888376 /nfs/dbraw/zinc/88/83/76/408888376.db2.gz LXODXHIQNQZFIO-NSHDSACASA-N 1 2 324.352 1.031 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1OC ZINC000277301689 408915559 /nfs/dbraw/zinc/91/55/59/408915559.db2.gz AXDFFSGPYZSHSV-WSVYEEACSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1OC ZINC000277301689 408915561 /nfs/dbraw/zinc/91/55/61/408915561.db2.gz AXDFFSGPYZSHSV-WSVYEEACSA-N 1 2 313.419 1.752 20 10 DDCDLO CN1C(=O)NC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC000289447078 409274387 /nfs/dbraw/zinc/27/43/87/409274387.db2.gz MSCWUTCNGNYCTP-UHFFFAOYSA-N 1 2 323.780 1.562 20 10 DDCDLO COc1cccc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)c1O ZINC000298195507 410129322 /nfs/dbraw/zinc/12/93/22/410129322.db2.gz HSSOTDRMOGDKLE-SNVBAGLBSA-N 1 2 304.350 1.596 20 10 DDCDLO COc1cccc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)c1O ZINC000298195507 410129329 /nfs/dbraw/zinc/12/93/29/410129329.db2.gz HSSOTDRMOGDKLE-SNVBAGLBSA-N 1 2 304.350 1.596 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368372748 418719951 /nfs/dbraw/zinc/71/99/51/418719951.db2.gz BNHKSGJCMCUBRI-HNNXBMFYSA-N 1 2 319.405 1.397 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368372748 418719955 /nfs/dbraw/zinc/71/99/55/418719955.db2.gz BNHKSGJCMCUBRI-HNNXBMFYSA-N 1 2 319.405 1.397 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000775713658 698025387 /nfs/dbraw/zinc/02/53/87/698025387.db2.gz WRGSJTXHNWTZRR-OAHLLOKOSA-N 1 2 323.389 1.943 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000775713658 698025389 /nfs/dbraw/zinc/02/53/89/698025389.db2.gz WRGSJTXHNWTZRR-OAHLLOKOSA-N 1 2 323.389 1.943 20 10 DDCDLO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000848294226 703536911 /nfs/dbraw/zinc/53/69/11/703536911.db2.gz FIITWZNTNUZCLW-RWMBFGLXSA-N 1 2 322.405 1.634 20 10 DDCDLO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000848294226 703536912 /nfs/dbraw/zinc/53/69/12/703536912.db2.gz FIITWZNTNUZCLW-RWMBFGLXSA-N 1 2 322.405 1.634 20 10 DDCDLO C[C@@]1(C(F)F)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853634874 704290865 /nfs/dbraw/zinc/29/08/65/704290865.db2.gz QVKCRJOTWBNCID-WFASDCNBSA-N 1 2 315.316 1.674 20 10 DDCDLO C[C@@]1(C(F)F)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853634874 704290867 /nfs/dbraw/zinc/29/08/67/704290867.db2.gz QVKCRJOTWBNCID-WFASDCNBSA-N 1 2 315.316 1.674 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1OC ZINC000894159130 710991931 /nfs/dbraw/zinc/99/19/31/710991931.db2.gz SDIXNNHHRYTQSK-QWHCGFSZSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1OC ZINC000894159130 710991934 /nfs/dbraw/zinc/99/19/34/710991934.db2.gz SDIXNNHHRYTQSK-QWHCGFSZSA-N 1 2 324.421 1.296 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000825727639 705722886 /nfs/dbraw/zinc/72/28/86/705722886.db2.gz VSGLGONKLJUSBK-SNVBAGLBSA-N 1 2 305.309 1.911 20 10 DDCDLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccccc1O ZINC000876616056 705785529 /nfs/dbraw/zinc/78/55/29/705785529.db2.gz QECWDRBXQLACDA-OAHLLOKOSA-N 1 2 302.378 1.795 20 10 DDCDLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccccc1O ZINC000876616056 705785532 /nfs/dbraw/zinc/78/55/32/705785532.db2.gz QECWDRBXQLACDA-OAHLLOKOSA-N 1 2 302.378 1.795 20 10 DDCDLO CN(C)c1ccc(CN(C)S(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC000881757690 707354807 /nfs/dbraw/zinc/35/48/07/707354807.db2.gz NJNWEUOEANBXRV-UHFFFAOYSA-N 1 2 322.434 1.411 20 10 DDCDLO CNC(=O)C1C[NH+](Cc2cc(C)cc(Br)c2O)C1 ZINC000839143612 708029922 /nfs/dbraw/zinc/02/99/22/708029922.db2.gz OMZMDLMIOQZMQG-UHFFFAOYSA-N 1 2 313.195 1.641 20 10 DDCDLO [NH3+][C@]1(CO)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000904402397 711853344 /nfs/dbraw/zinc/85/33/44/711853344.db2.gz PMFZXYPRLYXJKA-CYBMUJFWSA-N 1 2 305.205 1.985 20 10 DDCDLO COCC[NH+]1CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193218902 746018805 /nfs/dbraw/zinc/01/88/05/746018805.db2.gz DXZAVCMAAGECAW-UHFFFAOYSA-N 1 2 314.769 1.155 20 10 DDCDLO O=C(NC1CC[NH+](CCF)CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193633988 746156441 /nfs/dbraw/zinc/15/64/41/746156441.db2.gz NOIOZLSPMHGUCO-UHFFFAOYSA-N 1 2 316.760 1.915 20 10 DDCDLO O=C(N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1)C(F)(F)F ZINC001144504145 772553109 /nfs/dbraw/zinc/55/31/09/772553109.db2.gz MUZYVVKBSPVFKT-UHFFFAOYSA-N 1 2 320.267 1.010 20 10 DDCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141032426 860768060 /nfs/dbraw/zinc/76/80/60/860768060.db2.gz BNZJBRIQMBVANZ-GDLVEWKHSA-N 1 2 321.373 1.935 20 10 DDCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141032426 860768063 /nfs/dbraw/zinc/76/80/63/860768063.db2.gz BNZJBRIQMBVANZ-GDLVEWKHSA-N 1 2 321.373 1.935 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CC(=O)N4CCC[C@@H]4C3)ccc21 ZINC001141144038 860795631 /nfs/dbraw/zinc/79/56/31/860795631.db2.gz UQBRYYIHWZKHBQ-CQSZACIVSA-N 1 2 301.390 1.322 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CC(=O)N4CCC[C@@H]4C3)ccc21 ZINC001141144038 860795643 /nfs/dbraw/zinc/79/56/43/860795643.db2.gz UQBRYYIHWZKHBQ-CQSZACIVSA-N 1 2 301.390 1.322 20 10 DDCDLO COC(=O)C1(O)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142531321 861172514 /nfs/dbraw/zinc/17/25/14/861172514.db2.gz UAXSXWIHNWNGEA-UHFFFAOYSA-N 1 2 301.289 1.170 20 10 DDCDLO O=C(NCCc1cc(O)c(O)cc1O)c1cccc2[nH+]ccn21 ZINC001154525874 861175141 /nfs/dbraw/zinc/17/51/41/861175141.db2.gz CTGMWDWQLPEFAE-UHFFFAOYSA-N 1 2 313.313 1.424 20 10 DDCDLO O=C(CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(O)c(O)c1 ZINC001151976877 863089435 /nfs/dbraw/zinc/08/94/35/863089435.db2.gz UUKFFOMYPUYRBL-UHFFFAOYSA-N 1 2 311.297 1.587 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001331551649 865150312 /nfs/dbraw/zinc/15/03/12/865150312.db2.gz DWHDSEOCKAMRTN-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001331551649 865150319 /nfs/dbraw/zinc/15/03/19/865150319.db2.gz DWHDSEOCKAMRTN-LLVKDONJSA-N 1 2 320.361 1.184 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc(O)c1O ZINC001204344661 871063613 /nfs/dbraw/zinc/06/36/13/871063613.db2.gz APBKRPWPHDWCQU-HNNXBMFYSA-N 1 2 308.334 1.181 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc(O)c1O ZINC001204344661 871063635 /nfs/dbraw/zinc/06/36/35/871063635.db2.gz APBKRPWPHDWCQU-HNNXBMFYSA-N 1 2 308.334 1.181 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc(O)c1O ZINC001204349762 871071407 /nfs/dbraw/zinc/07/14/07/871071407.db2.gz AVCVSBKBRIGDCE-GFCCVEGCSA-N 1 2 323.393 1.342 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc(O)c1O ZINC001204349762 871071421 /nfs/dbraw/zinc/07/14/21/871071421.db2.gz AVCVSBKBRIGDCE-GFCCVEGCSA-N 1 2 323.393 1.342 20 10 DDCDLO CN1CCO[C@@]2(CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001276471422 871135125 /nfs/dbraw/zinc/13/51/25/871135125.db2.gz WRNWUHWTFWWEOK-INIZCTEOSA-N 1 2 312.360 1.967 20 10 DDCDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001276471422 871135137 /nfs/dbraw/zinc/13/51/37/871135137.db2.gz WRNWUHWTFWWEOK-INIZCTEOSA-N 1 2 312.360 1.967 20 10 DDCDLO CN(c1ccn2cc[nH+]c2c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001204971302 871305554 /nfs/dbraw/zinc/30/55/54/871305554.db2.gz GTJFAALNQTVABC-UHFFFAOYSA-N 1 2 316.386 1.883 20 10 DDCDLO CCOc1cccc(C[NH+]2CC3(C2)CC[C@@H](C(N)=O)O3)c1O ZINC001277454254 884445988 /nfs/dbraw/zinc/44/59/88/884445988.db2.gz PAWNWNDQAIFSFX-ZDUSSCGKSA-N 1 2 306.362 1.010 20 10 DDCDLO C[C@]1(O)COCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416123 886985417 /nfs/dbraw/zinc/98/54/17/886985417.db2.gz WVSBGWUVKQTJCP-CYBMUJFWSA-N 1 2 305.296 1.994 20 10 DDCDLO C[C@]1(O)COCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416123 886985428 /nfs/dbraw/zinc/98/54/28/886985428.db2.gz WVSBGWUVKQTJCP-CYBMUJFWSA-N 1 2 305.296 1.994 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccncc3)C2)cc1O ZINC001233486635 887021626 /nfs/dbraw/zinc/02/16/26/887021626.db2.gz VWEKZIIVXDIQQV-INIZCTEOSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@H](c3ccncc3)C2)cc1O ZINC001233486635 887021633 /nfs/dbraw/zinc/02/16/33/887021633.db2.gz VWEKZIIVXDIQQV-INIZCTEOSA-N 1 2 302.330 1.772 20 10 DDCDLO C[C@@H]1CN(C2C[NH+](Cc3cc(O)c(O)cc3O)C2)C[C@H](C)O1 ZINC001233487643 887023852 /nfs/dbraw/zinc/02/38/52/887023852.db2.gz MNYSZEMKQYTHDJ-PHIMTYICSA-N 1 2 308.378 1.097 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(Br)c1O)C[C@H](O)CO ZINC001235294039 888533121 /nfs/dbraw/zinc/53/31/21/888533121.db2.gz LTZZJOOHGWCJFI-VIFPVBQESA-N 1 2 308.147 1.079 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(Br)c1O)C[C@H](O)CO ZINC001235294039 888533123 /nfs/dbraw/zinc/53/31/23/888533123.db2.gz LTZZJOOHGWCJFI-VIFPVBQESA-N 1 2 308.147 1.079 20 10 DDCDLO O=C1NCC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)N1 ZINC001237803347 889854661 /nfs/dbraw/zinc/85/46/61/889854661.db2.gz SQENKTWABJIPMS-UHFFFAOYSA-N 1 2 313.760 1.832 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(=O)NC2CC2)c1O ZINC000050149112 407128569 /nfs/dbraw/zinc/12/85/69/407128569.db2.gz JGCUYOAUKIXSSE-UHFFFAOYSA-N 1 2 310.781 1.959 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(=O)NC2CC2)c1O ZINC000050149112 407128570 /nfs/dbraw/zinc/12/85/70/407128570.db2.gz JGCUYOAUKIXSSE-UHFFFAOYSA-N 1 2 310.781 1.959 20 10 DDCDLO CN(C)c1ccc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc1F ZINC000278365070 409079246 /nfs/dbraw/zinc/07/92/46/409079246.db2.gz KNJDZHPXIDHHOW-UHFFFAOYSA-N 1 2 315.356 1.763 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H](C(N)=O)O1 ZINC000191444412 222102067 /nfs/dbraw/zinc/10/20/67/222102067.db2.gz COTBRHICXHFRMP-HQJQHLMTSA-N 1 2 302.733 1.259 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H](C(N)=O)O1 ZINC000191444412 222102071 /nfs/dbraw/zinc/10/20/71/222102071.db2.gz COTBRHICXHFRMP-HQJQHLMTSA-N 1 2 302.733 1.259 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684082 418713313 /nfs/dbraw/zinc/71/33/13/418713313.db2.gz VHUUYIHVJWYMOA-NURSFMCSSA-N 1 2 319.361 1.961 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@H+]2C[C@@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684082 418713314 /nfs/dbraw/zinc/71/33/14/418713314.db2.gz VHUUYIHVJWYMOA-NURSFMCSSA-N 1 2 319.361 1.961 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC000369595872 418735495 /nfs/dbraw/zinc/73/54/95/418735495.db2.gz QWVVUWIBYQJTJS-SNVBAGLBSA-N 1 2 306.297 1.350 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)n1 ZINC000369595872 418735496 /nfs/dbraw/zinc/73/54/96/418735496.db2.gz QWVVUWIBYQJTJS-SNVBAGLBSA-N 1 2 306.297 1.350 20 10 DDCDLO COc1cccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c1O ZINC000364685500 418800785 /nfs/dbraw/zinc/80/07/85/418800785.db2.gz IGBFGKMDUVENDF-UHFFFAOYSA-N 1 2 320.389 1.272 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529644187 421548522 /nfs/dbraw/zinc/54/85/22/421548522.db2.gz VEIWZAXAXJHVLT-SNVBAGLBSA-N 1 2 313.785 1.175 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529644187 421548525 /nfs/dbraw/zinc/54/85/25/421548525.db2.gz VEIWZAXAXJHVLT-SNVBAGLBSA-N 1 2 313.785 1.175 20 10 DDCDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182419640 519916846 /nfs/dbraw/zinc/91/68/46/519916846.db2.gz DGDDXYUOZHAAIR-UHFFFAOYSA-N 1 2 308.378 1.201 20 10 DDCDLO COc1ccc(N2CCC[N@H+](Cc3nncn3C)CC2)cc1 ZINC000195514984 697746094 /nfs/dbraw/zinc/74/60/94/697746094.db2.gz ORHLJPALRMUBIL-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO COc1ccc(N2CCC[N@@H+](Cc3nncn3C)CC2)cc1 ZINC000195514984 697746096 /nfs/dbraw/zinc/74/60/96/697746096.db2.gz ORHLJPALRMUBIL-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773756718 697800987 /nfs/dbraw/zinc/80/09/87/697800987.db2.gz YKFNCDMWOOTQBQ-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773756718 697800992 /nfs/dbraw/zinc/80/09/92/697800992.db2.gz YKFNCDMWOOTQBQ-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792165882 699679760 /nfs/dbraw/zinc/67/97/60/699679760.db2.gz LYRIMBOZRFMRRQ-QMMMGPOBSA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792165882 699679763 /nfs/dbraw/zinc/67/97/63/699679763.db2.gz LYRIMBOZRFMRRQ-QMMMGPOBSA-N 1 2 322.789 1.438 20 10 DDCDLO CN(C)C(=O)NCC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792173602 699680793 /nfs/dbraw/zinc/68/07/93/699680793.db2.gz GRTBMZLZGVFSGY-UHFFFAOYSA-N 1 2 303.765 1.888 20 10 DDCDLO CN(C)C(=O)NCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792173602 699680794 /nfs/dbraw/zinc/68/07/94/699680794.db2.gz GRTBMZLZGVFSGY-UHFFFAOYSA-N 1 2 303.765 1.888 20 10 DDCDLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000810263457 701748744 /nfs/dbraw/zinc/74/87/44/701748744.db2.gz NNMLZOMNTCUJHQ-QMMMGPOBSA-N 1 2 308.350 1.212 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000855227758 704474171 /nfs/dbraw/zinc/47/41/71/704474171.db2.gz YRFKFXDUKQNKKT-ZDUSSCGKSA-N 1 2 300.362 1.287 20 10 DDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824678705 705505035 /nfs/dbraw/zinc/50/50/35/705505035.db2.gz UOCURUBANSIEEC-SNVBAGLBSA-N 1 2 324.805 1.602 20 10 DDCDLO Cc1cccc(O)c1C[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000876549932 705754541 /nfs/dbraw/zinc/75/45/41/705754541.db2.gz ZRDJMLWCBHDJBV-CQSZACIVSA-N 1 2 324.446 1.005 20 10 DDCDLO O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000898192502 708570151 /nfs/dbraw/zinc/57/01/51/708570151.db2.gz KFPUKUSRTYMCDA-ZBFHGGJFSA-N 1 2 312.360 1.567 20 10 DDCDLO O[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000898192502 708570152 /nfs/dbraw/zinc/57/01/52/708570152.db2.gz KFPUKUSRTYMCDA-ZBFHGGJFSA-N 1 2 312.360 1.567 20 10 DDCDLO Cc1nc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)n[nH]1 ZINC000895264512 711470854 /nfs/dbraw/zinc/47/08/54/711470854.db2.gz BSVIPNGSFMDLKI-UHFFFAOYSA-N 1 2 301.394 1.445 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895703357 711582941 /nfs/dbraw/zinc/58/29/41/711582941.db2.gz LWRPZGJXKVDAGJ-CYBMUJFWSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895703357 711582943 /nfs/dbraw/zinc/58/29/43/711582943.db2.gz LWRPZGJXKVDAGJ-CYBMUJFWSA-N 1 2 303.717 1.295 20 10 DDCDLO CNC(=O)C1([NH2+]Cc2ccc(F)c(F)c2O)CCOCC1 ZINC000895886082 711637822 /nfs/dbraw/zinc/63/78/22/711637822.db2.gz SMEQIOPFGQZIML-UHFFFAOYSA-N 1 2 300.305 1.055 20 10 DDCDLO CCn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000929184028 713562787 /nfs/dbraw/zinc/56/27/87/713562787.db2.gz ACKURYIQGJVNOQ-UHFFFAOYSA-N 1 2 315.421 1.767 20 10 DDCDLO CCn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000929184028 713562789 /nfs/dbraw/zinc/56/27/89/713562789.db2.gz ACKURYIQGJVNOQ-UHFFFAOYSA-N 1 2 315.421 1.767 20 10 DDCDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(O)c(O)c(O)c1 ZINC001148590738 773542480 /nfs/dbraw/zinc/54/24/80/773542480.db2.gz ODEKBVAQFJOYKC-LLVKDONJSA-N 1 2 315.329 1.207 20 10 DDCDLO CN(C)c1ccc(/C=C\C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001119613938 781536681 /nfs/dbraw/zinc/53/66/81/781536681.db2.gz RSGLQFJWFFDVCM-MJSXRHKHSA-N 1 2 314.389 1.774 20 10 DDCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3ccc(C)cc3O)C2)OCC1=O ZINC001272765575 847395348 /nfs/dbraw/zinc/39/53/48/847395348.db2.gz JOUSAQNSGGDOQE-CQSZACIVSA-N 1 2 318.417 1.912 20 10 DDCDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275425704 853103935 /nfs/dbraw/zinc/10/39/35/853103935.db2.gz RWMARHDWGJSAJR-UHFFFAOYSA-N 1 2 305.378 1.476 20 10 DDCDLO CN(C)c1cc(N2CCCc3cc(O)c(O)cc3C2)nc[nH+]1 ZINC001155933515 862573360 /nfs/dbraw/zinc/57/33/60/862573360.db2.gz VYNDFNKYSWDSOI-UHFFFAOYSA-N 1 2 300.362 1.907 20 10 DDCDLO CN(C)c1cc(N2CCCc3cc(O)c(O)cc3C2)[nH+]cn1 ZINC001155933515 862573371 /nfs/dbraw/zinc/57/33/71/862573371.db2.gz VYNDFNKYSWDSOI-UHFFFAOYSA-N 1 2 300.362 1.907 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001139126740 860296820 /nfs/dbraw/zinc/29/68/20/860296820.db2.gz OORYODNQRQUDBO-LLVKDONJSA-N 1 2 316.357 1.504 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001139126740 860296829 /nfs/dbraw/zinc/29/68/29/860296829.db2.gz OORYODNQRQUDBO-LLVKDONJSA-N 1 2 316.357 1.504 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1[nH+]ccn1C ZINC001348212770 874426587 /nfs/dbraw/zinc/42/65/87/874426587.db2.gz OXIYKYFBADZOQZ-NSHDSACASA-N 1 2 303.362 1.511 20 10 DDCDLO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000316100246 879277489 /nfs/dbraw/zinc/27/74/89/879277489.db2.gz PQMJWYLHJBJNFO-MRXNPFEDSA-N 1 2 304.390 1.769 20 10 DDCDLO O=C([C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2)N1CCCCO1 ZINC001277491422 885298507 /nfs/dbraw/zinc/29/85/07/885298507.db2.gz JQFLQTNUBVLAHI-ZDUSSCGKSA-N 1 2 320.364 1.907 20 10 DDCDLO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001232834777 886619969 /nfs/dbraw/zinc/61/99/69/886619969.db2.gz MGPOJIODFALCBN-MRXNPFEDSA-N 1 2 305.422 1.365 20 10 DDCDLO C[N@@H+](Cc1c(O)cc(Br)cc1F)C[C@H](O)CO ZINC001233028198 886739383 /nfs/dbraw/zinc/73/93/83/886739383.db2.gz KGGXQLDBIMKLAC-QMMMGPOBSA-N 1 2 308.147 1.079 20 10 DDCDLO C[N@H+](Cc1c(O)cc(Br)cc1F)C[C@H](O)CO ZINC001233028198 886739393 /nfs/dbraw/zinc/73/93/93/886739393.db2.gz KGGXQLDBIMKLAC-QMMMGPOBSA-N 1 2 308.147 1.079 20 10 DDCDLO Oc1cc(C[N@H+]2CCOC[C@H](O)C2)c(O)cc1Br ZINC001236769988 889347077 /nfs/dbraw/zinc/34/70/77/889347077.db2.gz ZJIYRTYQCXUKJN-SECBINFHSA-N 1 2 318.167 1.053 20 10 DDCDLO Oc1cc(C[N@@H+]2CCOC[C@H](O)C2)c(O)cc1Br ZINC001236769988 889347086 /nfs/dbraw/zinc/34/70/86/889347086.db2.gz ZJIYRTYQCXUKJN-SECBINFHSA-N 1 2 318.167 1.053 20 10 DDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001296005236 916175382 /nfs/dbraw/zinc/17/53/82/916175382.db2.gz JPWAVNNIHFGXAP-LBPRGKRZSA-N 1 2 301.346 1.390 20 10 DDCDLO Cn1c[nH+]c(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c1 ZINC000619743249 364137835 /nfs/dbraw/zinc/13/78/35/364137835.db2.gz PZGNAPHTIGKVRF-UXBLZVDNSA-N 1 2 323.312 1.983 20 10 DDCDLO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464177 296131048 /nfs/dbraw/zinc/13/10/48/296131048.db2.gz DGEUQCTZFIUTKN-QWHCGFSZSA-N 1 2 323.393 1.919 20 10 DDCDLO COc1cccc(CNC(=O)NCCCn2cc[nH+]c2)c1O ZINC000097595839 407299609 /nfs/dbraw/zinc/29/96/09/407299609.db2.gz ZXZVAKLTVJMSJH-UHFFFAOYSA-N 1 2 304.350 1.487 20 10 DDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(S(C)(=O)=O)CC2)c1O ZINC000179625631 407815269 /nfs/dbraw/zinc/81/52/69/407815269.db2.gz KGDBFVSGEILQQH-UHFFFAOYSA-N 1 2 318.826 1.431 20 10 DDCDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133645408 407865768 /nfs/dbraw/zinc/86/57/68/407865768.db2.gz JQMBDWZXAQDQMU-CQSZACIVSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133645408 407865772 /nfs/dbraw/zinc/86/57/72/407865772.db2.gz JQMBDWZXAQDQMU-CQSZACIVSA-N 1 2 306.406 1.907 20 10 DDCDLO CCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278330492 409079151 /nfs/dbraw/zinc/07/91/51/409079151.db2.gz ZFHZGZSSDJGREL-UHFFFAOYSA-N 1 2 311.338 1.396 20 10 DDCDLO CCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278330492 409079152 /nfs/dbraw/zinc/07/91/52/409079152.db2.gz ZFHZGZSSDJGREL-UHFFFAOYSA-N 1 2 311.338 1.396 20 10 DDCDLO Cc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c(O)c1O ZINC000279442180 409215701 /nfs/dbraw/zinc/21/57/01/409215701.db2.gz ZWBCQXBESBUYBC-LBPRGKRZSA-N 1 2 308.378 1.199 20 10 DDCDLO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(F)c(F)c1O ZINC000289621308 409283719 /nfs/dbraw/zinc/28/37/19/409283719.db2.gz DQDPJXUCXBTWOT-VIFPVBQESA-N 1 2 312.320 1.495 20 10 DDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000296645269 409627974 /nfs/dbraw/zinc/62/79/74/409627974.db2.gz YKZHBLYYEKTZQV-DTWKUNHWSA-N 1 2 322.377 1.649 20 10 DDCDLO O=c1ccc(N2CC[NH+](Cc3cccc(F)c3O)CC2)n[nH]1 ZINC000378492423 418723779 /nfs/dbraw/zinc/72/37/79/418723779.db2.gz IASIXQWKHXNQFB-UHFFFAOYSA-N 1 2 304.325 1.349 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000364714402 418802803 /nfs/dbraw/zinc/80/28/03/418802803.db2.gz RFIRWACXZAYHRE-NSHDSACASA-N 1 2 318.333 1.220 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000364714402 418802806 /nfs/dbraw/zinc/80/28/06/418802806.db2.gz RFIRWACXZAYHRE-NSHDSACASA-N 1 2 318.333 1.220 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000372747671 418898812 /nfs/dbraw/zinc/89/88/12/418898812.db2.gz YSGKUBAHTQLQKZ-CYBMUJFWSA-N 1 2 316.380 1.967 20 10 DDCDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000372153337 418840604 /nfs/dbraw/zinc/84/06/04/418840604.db2.gz UACVFZLFMWHITD-OAHLLOKOSA-N 1 2 322.405 1.518 20 10 DDCDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000372153337 418840606 /nfs/dbraw/zinc/84/06/06/418840606.db2.gz UACVFZLFMWHITD-OAHLLOKOSA-N 1 2 322.405 1.518 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000161980041 295147841 /nfs/dbraw/zinc/14/78/41/295147841.db2.gz QSJICXICKNEFNK-LLVKDONJSA-N 1 2 313.195 1.995 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000161980041 295147843 /nfs/dbraw/zinc/14/78/43/295147843.db2.gz QSJICXICKNEFNK-LLVKDONJSA-N 1 2 313.195 1.995 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001120676733 782088288 /nfs/dbraw/zinc/08/82/88/782088288.db2.gz AVFJXHLVDUHDOO-CYBMUJFWSA-N 1 2 306.410 1.131 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179884876 526543518 /nfs/dbraw/zinc/54/35/18/526543518.db2.gz VVORAPUPAADJPP-OAHLLOKOSA-N 1 2 308.353 1.355 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000128493000 696779744 /nfs/dbraw/zinc/77/97/44/696779744.db2.gz IWKAPZJUJHNBNI-KRWDZBQOSA-N 1 2 317.433 1.576 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000781906398 698660749 /nfs/dbraw/zinc/66/07/49/698660749.db2.gz CFGSWUXVAOPUBD-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)CC2)c1 ZINC000781906398 698660753 /nfs/dbraw/zinc/66/07/53/698660753.db2.gz CFGSWUXVAOPUBD-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715791004 699277379 /nfs/dbraw/zinc/27/73/79/699277379.db2.gz DWTSHOIAHSINLA-LBPRGKRZSA-N 1 2 322.174 1.781 20 10 DDCDLO CS(=O)(=O)NC1CC([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000802654946 700415909 /nfs/dbraw/zinc/41/59/09/700415909.db2.gz PYKKYDNBLODIOT-UHFFFAOYSA-N 1 2 322.789 1.355 20 10 DDCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464821 701180313 /nfs/dbraw/zinc/18/03/13/701180313.db2.gz VVBIJCJNFHBDFL-QMTHXVAHSA-N 1 2 309.362 1.590 20 10 DDCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464821 701180316 /nfs/dbraw/zinc/18/03/16/701180316.db2.gz VVBIJCJNFHBDFL-QMTHXVAHSA-N 1 2 309.362 1.590 20 10 DDCDLO COCc1noc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401148 703026270 /nfs/dbraw/zinc/02/62/70/703026270.db2.gz KPAJKJBDMZQGQC-UHFFFAOYSA-N 1 2 320.393 1.793 20 10 DDCDLO COCc1noc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401148 703026271 /nfs/dbraw/zinc/02/62/71/703026271.db2.gz KPAJKJBDMZQGQC-UHFFFAOYSA-N 1 2 320.393 1.793 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c1O ZINC000880528190 707005412 /nfs/dbraw/zinc/00/54/12/707005412.db2.gz ZANSGUNCMAUFRU-ABAIWWIYSA-N 1 2 320.364 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c1O ZINC000880528190 707005415 /nfs/dbraw/zinc/00/54/15/707005415.db2.gz ZANSGUNCMAUFRU-ABAIWWIYSA-N 1 2 320.364 1.834 20 10 DDCDLO C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502740 707021138 /nfs/dbraw/zinc/02/11/38/707021138.db2.gz CBIJBAGRQXHGGE-FOSCPCJNSA-N 1 2 317.433 1.818 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891449781 710204939 /nfs/dbraw/zinc/20/49/39/710204939.db2.gz HMUZWTUKVHJZKB-UHFFFAOYSA-N 1 2 324.377 1.684 20 10 DDCDLO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C)[N@@H+]1CCO ZINC000894906996 711315034 /nfs/dbraw/zinc/31/50/34/711315034.db2.gz NQGBHHWNUSTVIY-PHIMTYICSA-N 1 2 300.349 1.557 20 10 DDCDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001272386269 846091844 /nfs/dbraw/zinc/09/18/44/846091844.db2.gz LEHNIDCOMHLFPN-UHFFFAOYSA-N 1 2 320.389 1.167 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1O ZINC001235300213 846406532 /nfs/dbraw/zinc/40/65/32/846406532.db2.gz WIEWAWNLLIIMPG-KWQFWETISA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1O ZINC001235300213 846406538 /nfs/dbraw/zinc/40/65/38/846406538.db2.gz WIEWAWNLLIIMPG-KWQFWETISA-N 1 2 320.158 1.079 20 10 DDCDLO CN1CCN(C2C[NH+](Cc3c(O)cccc3Cl)C2)CC1=O ZINC001140341567 860621490 /nfs/dbraw/zinc/62/14/90/860621490.db2.gz WLQMRMSEJMSHDU-UHFFFAOYSA-N 1 2 309.797 1.004 20 10 DDCDLO CN(C)c1ccc(/C=C\C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001332477288 865869358 /nfs/dbraw/zinc/86/93/58/865869358.db2.gz RSGLQFJWFFDVCM-QGZUEGPWSA-N 1 2 314.389 1.774 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c(O)c1OC ZINC001336762194 869128733 /nfs/dbraw/zinc/12/87/33/869128733.db2.gz ZOXUZYRGVFGLPI-FIKIJFGZSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c(O)c1OC ZINC001336762194 869128739 /nfs/dbraw/zinc/12/87/39/869128739.db2.gz ZOXUZYRGVFGLPI-FIKIJFGZSA-N 1 2 313.419 1.752 20 10 DDCDLO CN(C)C(=O)[C@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1O ZINC001277441833 884295190 /nfs/dbraw/zinc/29/51/90/884295190.db2.gz QDDMDVPCQKZKBB-OAHLLOKOSA-N 1 2 314.389 1.451 20 10 DDCDLO CN(C)C(=O)[C@H]1CCn2nccc2C[N@H+]1Cc1ccccc1O ZINC001277441833 884295204 /nfs/dbraw/zinc/29/52/04/884295204.db2.gz QDDMDVPCQKZKBB-OAHLLOKOSA-N 1 2 314.389 1.451 20 10 DDCDLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263105 886196844 /nfs/dbraw/zinc/19/68/44/886196844.db2.gz HCFUHTRDZOEQSH-GFCCVEGCSA-N 1 2 323.780 1.715 20 10 DDCDLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263105 886196853 /nfs/dbraw/zinc/19/68/53/886196853.db2.gz HCFUHTRDZOEQSH-GFCCVEGCSA-N 1 2 323.780 1.715 20 10 DDCDLO Oc1ccc(N2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)cc1 ZINC001233010863 886722537 /nfs/dbraw/zinc/72/25/37/886722537.db2.gz VZVOBLHOJJIAFA-UHFFFAOYSA-N 1 2 316.357 1.831 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236809465 889368052 /nfs/dbraw/zinc/36/80/52/889368052.db2.gz WEKNWRGQXPLYFT-AWEZNQCLSA-N 1 2 321.373 1.663 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236809465 889368061 /nfs/dbraw/zinc/36/80/61/889368061.db2.gz WEKNWRGQXPLYFT-AWEZNQCLSA-N 1 2 321.373 1.663 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCC1=O ZINC001236809465 889368074 /nfs/dbraw/zinc/36/80/74/889368074.db2.gz WEKNWRGQXPLYFT-AWEZNQCLSA-N 1 2 321.373 1.663 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCC1=O ZINC001236809465 889368085 /nfs/dbraw/zinc/36/80/85/889368085.db2.gz WEKNWRGQXPLYFT-AWEZNQCLSA-N 1 2 321.373 1.663 20 10 DDCDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nn1C ZINC001237573644 889712521 /nfs/dbraw/zinc/71/25/21/889712521.db2.gz MMJKRMVHKNRKNC-UHFFFAOYSA-N 1 2 316.405 1.905 20 10 DDCDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nn1C ZINC001237573644 889712534 /nfs/dbraw/zinc/71/25/34/889712534.db2.gz MMJKRMVHKNRKNC-UHFFFAOYSA-N 1 2 316.405 1.905 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237807443 889864132 /nfs/dbraw/zinc/86/41/32/889864132.db2.gz IVWWHEARELHZOQ-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237807443 889864142 /nfs/dbraw/zinc/86/41/42/889864142.db2.gz IVWWHEARELHZOQ-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO CCN1C(=O)C(=CNc2cc(C)cc[nH+]2)C(=O)N(CC)C1=S ZINC000005585512 181260746 /nfs/dbraw/zinc/26/07/46/181260746.db2.gz JHSVOMVEPGPJLU-UHFFFAOYSA-N 1 2 318.402 1.681 20 10 DDCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761482 223656402 /nfs/dbraw/zinc/65/64/02/223656402.db2.gz ZHXCRSSWMJWLPX-CHWSQXEVSA-N 1 2 319.357 1.691 20 10 DDCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761482 223656404 /nfs/dbraw/zinc/65/64/04/223656404.db2.gz ZHXCRSSWMJWLPX-CHWSQXEVSA-N 1 2 319.357 1.691 20 10 DDCDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(N2CCOCC2)cc1 ZINC000053583200 407170739 /nfs/dbraw/zinc/17/07/39/407170739.db2.gz KLZCQYWCXIGEIT-UHFFFAOYSA-N 1 2 324.388 1.812 20 10 DDCDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000111273589 407404928 /nfs/dbraw/zinc/40/49/28/407404928.db2.gz MEUKKNRGXIWJRR-WMLDXEAASA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000111273589 407404930 /nfs/dbraw/zinc/40/49/30/407404930.db2.gz MEUKKNRGXIWJRR-WMLDXEAASA-N 1 2 319.449 1.868 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c1 ZINC000271170337 407552057 /nfs/dbraw/zinc/55/20/57/407552057.db2.gz HJDOSRPVSWDECY-AWEZNQCLSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c1 ZINC000271170337 407552065 /nfs/dbraw/zinc/55/20/65/407552065.db2.gz HJDOSRPVSWDECY-AWEZNQCLSA-N 1 2 309.362 1.555 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271763550 407731267 /nfs/dbraw/zinc/73/12/67/407731267.db2.gz ZKNKCKHWRAUXPM-JTQLQIEISA-N 1 2 318.826 1.546 20 10 DDCDLO CCC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000131679316 407746750 /nfs/dbraw/zinc/74/67/50/407746750.db2.gz IBFCUDNUOCUHGG-KRWDZBQOSA-N 1 2 319.449 1.870 20 10 DDCDLO CCC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000131679316 407746754 /nfs/dbraw/zinc/74/67/54/407746754.db2.gz IBFCUDNUOCUHGG-KRWDZBQOSA-N 1 2 319.449 1.870 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000184671909 408665326 /nfs/dbraw/zinc/66/53/26/408665326.db2.gz DHHXKGUCOFVFJQ-LLVKDONJSA-N 1 2 319.810 1.673 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1F ZINC000292818841 409043427 /nfs/dbraw/zinc/04/34/27/409043427.db2.gz PREFBMNIIRPGLQ-CYBMUJFWSA-N 1 2 314.426 1.758 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1F ZINC000292818841 409043428 /nfs/dbraw/zinc/04/34/28/409043428.db2.gz PREFBMNIIRPGLQ-CYBMUJFWSA-N 1 2 314.426 1.758 20 10 DDCDLO COCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H](C)C(N)=O ZINC000295431831 409479208 /nfs/dbraw/zinc/47/92/08/409479208.db2.gz TURCEORGLAWQKK-MRVPVSSYSA-N 1 2 304.749 1.507 20 10 DDCDLO COCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H](C)C(N)=O ZINC000295431831 409479213 /nfs/dbraw/zinc/47/92/13/409479213.db2.gz TURCEORGLAWQKK-MRVPVSSYSA-N 1 2 304.749 1.507 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2cccc(OC)c2O)n1 ZINC000373482378 418434299 /nfs/dbraw/zinc/43/42/99/418434299.db2.gz GWAAIZZMWHIRHJ-NWDGAFQWSA-N 1 2 319.361 1.654 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2cccc(OC)c2O)n1 ZINC000373482378 418434303 /nfs/dbraw/zinc/43/43/03/418434303.db2.gz GWAAIZZMWHIRHJ-NWDGAFQWSA-N 1 2 319.361 1.654 20 10 DDCDLO Cn1cc[nH+]c1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265956700 222357588 /nfs/dbraw/zinc/35/75/88/222357588.db2.gz WEGAORXNELHXED-UHFFFAOYSA-N 1 2 311.389 1.796 20 10 DDCDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375426491 418639960 /nfs/dbraw/zinc/63/99/60/418639960.db2.gz ODOJXVFMLHBANY-CYBMUJFWSA-N 1 2 310.344 1.884 20 10 DDCDLO COc1ccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(O)c1 ZINC000378120881 418719014 /nfs/dbraw/zinc/71/90/14/418719014.db2.gz TXQRCFOQBUISEA-LLVKDONJSA-N 1 2 316.361 1.481 20 10 DDCDLO COc1ccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(O)c1 ZINC000378120881 418719016 /nfs/dbraw/zinc/71/90/16/418719016.db2.gz TXQRCFOQBUISEA-LLVKDONJSA-N 1 2 316.361 1.481 20 10 DDCDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368021387 418674878 /nfs/dbraw/zinc/67/48/78/418674878.db2.gz RGUBLXAPKZIFGI-GFCCVEGCSA-N 1 2 314.382 1.187 20 10 DDCDLO Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(O)c1O ZINC000182387837 526195480 /nfs/dbraw/zinc/19/54/80/526195480.db2.gz QEQGTFNQDMJDQK-NWDGAFQWSA-N 1 2 308.378 1.245 20 10 DDCDLO COc1ccc(N(CC(C)C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000747684319 700081933 /nfs/dbraw/zinc/08/19/33/700081933.db2.gz YPVDBVKTJJKQOF-QGZVFWFLSA-N 1 2 322.449 1.851 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000781895744 698659588 /nfs/dbraw/zinc/65/95/88/698659588.db2.gz XGYHWCQTALRKTM-UHFFFAOYSA-N 1 2 315.211 1.983 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000781895744 698659589 /nfs/dbraw/zinc/65/95/89/698659589.db2.gz XGYHWCQTALRKTM-UHFFFAOYSA-N 1 2 315.211 1.983 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000703131170 699235020 /nfs/dbraw/zinc/23/50/20/699235020.db2.gz INJRIIYALXOWSV-LLVKDONJSA-N 1 2 302.371 1.045 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000703131170 699235024 /nfs/dbraw/zinc/23/50/24/699235024.db2.gz INJRIIYALXOWSV-LLVKDONJSA-N 1 2 302.371 1.045 20 10 DDCDLO C[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768242842 701165105 /nfs/dbraw/zinc/16/51/05/701165105.db2.gz DABBNMYEZFARDN-UHFFFAOYSA-N 1 2 306.366 1.502 20 10 DDCDLO C[N@@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768242842 701165107 /nfs/dbraw/zinc/16/51/07/701165107.db2.gz DABBNMYEZFARDN-UHFFFAOYSA-N 1 2 306.366 1.502 20 10 DDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768464526 701180038 /nfs/dbraw/zinc/18/00/38/701180038.db2.gz SWDQDFCZUXWYCS-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768464526 701180039 /nfs/dbraw/zinc/18/00/39/701180039.db2.gz SWDQDFCZUXWYCS-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000770279848 701273612 /nfs/dbraw/zinc/27/36/12/701273612.db2.gz CWDDODPTZFUWGB-UHFFFAOYSA-N 1 2 304.390 1.661 20 10 DDCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000770279848 701273613 /nfs/dbraw/zinc/27/36/13/701273613.db2.gz CWDDODPTZFUWGB-UHFFFAOYSA-N 1 2 304.390 1.661 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000844399423 703025821 /nfs/dbraw/zinc/02/58/21/703025821.db2.gz IOPLLMDUFGNICT-UHFFFAOYSA-N 1 2 300.424 1.108 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000844399423 703025823 /nfs/dbraw/zinc/02/58/23/703025823.db2.gz IOPLLMDUFGNICT-UHFFFAOYSA-N 1 2 300.424 1.108 20 10 DDCDLO COc1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c(O)c1 ZINC000846060873 703232057 /nfs/dbraw/zinc/23/20/57/703232057.db2.gz IPXMYVSXGHQYGJ-UHFFFAOYSA-N 1 2 315.373 1.793 20 10 DDCDLO COc1cccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccn2)c1O ZINC000846168545 703245711 /nfs/dbraw/zinc/24/57/11/703245711.db2.gz AJMLTMGJUNKOIG-QMTHXVAHSA-N 1 2 301.346 1.673 20 10 DDCDLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)cccc1Br ZINC000862402447 705710560 /nfs/dbraw/zinc/71/05/60/705710560.db2.gz HKWWKDORJPZMFP-GSRNSYJJSA-N 1 2 316.220 1.860 20 10 DDCDLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)cccc1Br ZINC000862402447 705710562 /nfs/dbraw/zinc/71/05/62/705710562.db2.gz HKWWKDORJPZMFP-GSRNSYJJSA-N 1 2 316.220 1.860 20 10 DDCDLO Oc1c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc(F)c1F ZINC000876785353 705876310 /nfs/dbraw/zinc/87/63/10/705876310.db2.gz VUGCJLSXPHKWNO-LBPRGKRZSA-N 1 2 312.360 1.825 20 10 DDCDLO C/C(=C/C(=O)NCc1cccc(Cl)c1O)C[NH+]1CCOCC1 ZINC000890760906 709979791 /nfs/dbraw/zinc/97/97/91/709979791.db2.gz DHIVBTZUSHBXIW-XFXZXTDPSA-N 1 2 324.808 1.940 20 10 DDCDLO CC(C)n1c[nH+]cc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000901444627 710042485 /nfs/dbraw/zinc/04/24/85/710042485.db2.gz ZLFTYSZJFTZSBW-KPKJPENVSA-N 1 2 306.391 1.767 20 10 DDCDLO O=C(NCc1c(O)cccc1F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000922075865 713953965 /nfs/dbraw/zinc/95/39/65/713953965.db2.gz DYSCUEPNZCLJAQ-SNVBAGLBSA-N 1 2 304.325 1.542 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c1 ZINC001203678623 744668610 /nfs/dbraw/zinc/66/86/10/744668610.db2.gz OVDDRDKGRXGUHX-UHFFFAOYSA-N 1 2 320.389 1.224 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c1 ZINC001203678623 744668612 /nfs/dbraw/zinc/66/86/12/744668612.db2.gz OVDDRDKGRXGUHX-UHFFFAOYSA-N 1 2 320.389 1.224 20 10 DDCDLO Cc1cc(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)ccc1N(C)C ZINC001139673590 860450006 /nfs/dbraw/zinc/45/00/06/860450006.db2.gz VDJFFDBGLHVQCP-INIZCTEOSA-N 1 2 303.450 1.966 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001139689232 860453267 /nfs/dbraw/zinc/45/32/67/860453267.db2.gz GNIHEKWFURFSJV-GFCCVEGCSA-N 1 2 312.360 1.967 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(OC)c1O ZINC001203596530 870658385 /nfs/dbraw/zinc/65/83/85/870658385.db2.gz HOZLRVPKDDIJRC-BTTYYORXSA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(OC)c1O ZINC001203596530 870658392 /nfs/dbraw/zinc/65/83/92/870658392.db2.gz HOZLRVPKDDIJRC-BTTYYORXSA-N 1 2 321.373 1.553 20 10 DDCDLO Oc1cnc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC001203664511 870701253 /nfs/dbraw/zinc/70/12/53/870701253.db2.gz IETAQVHPDPRHLC-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO COC(=O)c1c(C[N@@H+]2CC[C@](F)(CO)C2)c2ccccc2n1C ZINC001232401684 886335943 /nfs/dbraw/zinc/33/59/43/886335943.db2.gz BUCPHWNMOYPFDT-QGZVFWFLSA-N 1 2 320.364 1.871 20 10 DDCDLO COC(=O)c1c(C[N@H+]2CC[C@](F)(CO)C2)c2ccccc2n1C ZINC001232401684 886335960 /nfs/dbraw/zinc/33/59/60/886335960.db2.gz BUCPHWNMOYPFDT-QGZVFWFLSA-N 1 2 320.364 1.871 20 10 DDCDLO Oc1cc(C[NH+]2CCC(Oc3ncccn3)CC2)cc(O)c1O ZINC001233013357 886725191 /nfs/dbraw/zinc/72/51/91/886725191.db2.gz PFPOTXWWDKZTSV-UHFFFAOYSA-N 1 2 317.345 1.637 20 10 DDCDLO CCN1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233761097 887293386 /nfs/dbraw/zinc/29/33/86/887293386.db2.gz PTNGZZSINHMFAX-UHFFFAOYSA-N 1 2 318.295 1.955 20 10 DDCDLO CCN1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233761097 887293400 /nfs/dbraw/zinc/29/34/00/887293400.db2.gz PTNGZZSINHMFAX-UHFFFAOYSA-N 1 2 318.295 1.955 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1O ZINC001236792110 889355582 /nfs/dbraw/zinc/35/55/82/889355582.db2.gz BUERZWKNXDYLLV-SKDRFNHKSA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1O ZINC001236792110 889355595 /nfs/dbraw/zinc/35/55/95/889355595.db2.gz BUERZWKNXDYLLV-SKDRFNHKSA-N 1 2 306.189 1.874 20 10 DDCDLO CCNC(=O)C[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237120204 889509944 /nfs/dbraw/zinc/50/99/44/889509944.db2.gz ODUSGIGSSATCDG-UHFFFAOYSA-N 1 2 306.284 1.859 20 10 DDCDLO CCNC(=O)C[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237120204 889509953 /nfs/dbraw/zinc/50/99/53/889509953.db2.gz ODUSGIGSSATCDG-UHFFFAOYSA-N 1 2 306.284 1.859 20 10 DDCDLO C[NH+]1CCN(C2CN(Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC001237623170 889765689 /nfs/dbraw/zinc/76/56/89/889765689.db2.gz JELHASDZIAMVRK-UHFFFAOYSA-N 1 2 313.804 1.616 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238066054 890010209 /nfs/dbraw/zinc/01/02/09/890010209.db2.gz HKAOEHHMNZJENP-CQSZACIVSA-N 1 2 311.353 1.994 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238066054 890010221 /nfs/dbraw/zinc/01/02/21/890010221.db2.gz HKAOEHHMNZJENP-CQSZACIVSA-N 1 2 311.353 1.994 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001238069665 890012326 /nfs/dbraw/zinc/01/23/26/890012326.db2.gz JVYAJTMHMQRWQB-SHHSBJBSSA-N 1 2 323.364 1.992 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(F)cc(C)c1O ZINC001238069665 890012341 /nfs/dbraw/zinc/01/23/41/890012341.db2.gz JVYAJTMHMQRWQB-SHHSBJBSSA-N 1 2 323.364 1.992 20 10 DDCDLO O=C(Cn1cc[nH+]c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000076830695 185045765 /nfs/dbraw/zinc/04/57/65/185045765.db2.gz IOWNNYOJIRQYPR-UHFFFAOYSA-N 1 2 318.352 1.175 20 10 DDCDLO O=C(c1ccccn1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272253718 130013143 /nfs/dbraw/zinc/01/31/43/130013143.db2.gz IVVGGLBOBRYJGH-UHFFFAOYSA-N 1 2 315.348 1.884 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000195663367 407470359 /nfs/dbraw/zinc/47/03/59/407470359.db2.gz VSMPNVRIPTWJMN-LSDHHAIUSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000195663367 407470364 /nfs/dbraw/zinc/47/03/64/407470364.db2.gz VSMPNVRIPTWJMN-LSDHHAIUSA-N 1 2 319.449 1.820 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000272520389 407961657 /nfs/dbraw/zinc/96/16/57/407961657.db2.gz KYFDHDZTLVPPCW-GXTWGEPZSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1Cc1cc(C)ccc1O ZINC000272520389 407961664 /nfs/dbraw/zinc/96/16/64/407961664.db2.gz KYFDHDZTLVPPCW-GXTWGEPZSA-N 1 2 321.373 1.627 20 10 DDCDLO COc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000161226410 408576629 /nfs/dbraw/zinc/57/66/29/408576629.db2.gz LQZCZWRJBZHMES-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000292968154 409047127 /nfs/dbraw/zinc/04/71/27/409047127.db2.gz DGFXCGLNSSLBCB-INIZCTEOSA-N 1 2 305.422 1.398 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000292968154 409047131 /nfs/dbraw/zinc/04/71/31/409047131.db2.gz DGFXCGLNSSLBCB-INIZCTEOSA-N 1 2 305.422 1.398 20 10 DDCDLO COc1ccc(O)c(C[N@H+](C)Cc2ncnn2CC(F)F)c1 ZINC000278990899 409126407 /nfs/dbraw/zinc/12/64/07/409126407.db2.gz JKLWILMEISUQEC-UHFFFAOYSA-N 1 2 312.320 1.889 20 10 DDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2ncnn2CC(F)F)c1 ZINC000278990899 409126408 /nfs/dbraw/zinc/12/64/08/409126408.db2.gz JKLWILMEISUQEC-UHFFFAOYSA-N 1 2 312.320 1.889 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000293594589 409145427 /nfs/dbraw/zinc/14/54/27/409145427.db2.gz IRVOBGPGYBGBTA-UHFFFAOYSA-N 1 2 302.378 1.497 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000293594589 409145431 /nfs/dbraw/zinc/14/54/31/409145431.db2.gz IRVOBGPGYBGBTA-UHFFFAOYSA-N 1 2 302.378 1.497 20 10 DDCDLO COc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(O)c1 ZINC000373709674 418451069 /nfs/dbraw/zinc/45/10/69/418451069.db2.gz ZPJXKHZNYLILGX-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000374825130 418566172 /nfs/dbraw/zinc/56/61/72/418566172.db2.gz XZNWJWPUHUWFKC-LQPUYASZSA-N 1 2 313.357 1.861 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000374951935 418582582 /nfs/dbraw/zinc/58/25/82/418582582.db2.gz LJUOIESFZVCAAJ-YPMHNXCESA-N 1 2 315.373 1.604 20 10 DDCDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000181565076 520047156 /nfs/dbraw/zinc/04/71/56/520047156.db2.gz ZYOSXRFNWQSKEP-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000181565076 520047163 /nfs/dbraw/zinc/04/71/63/520047163.db2.gz ZYOSXRFNWQSKEP-NSHDSACASA-N 1 2 318.826 1.559 20 10 DDCDLO CN1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C[NH3+])C1 ZINC000122542859 696722874 /nfs/dbraw/zinc/72/28/74/696722874.db2.gz RZBFURRTSIPAHG-LLVKDONJSA-N 1 2 304.221 1.774 20 10 DDCDLO CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129173224 696785945 /nfs/dbraw/zinc/78/59/45/696785945.db2.gz BYVRYILITNTVTR-UHFFFAOYSA-N 1 2 322.428 1.145 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000750048238 700200134 /nfs/dbraw/zinc/20/01/34/700200134.db2.gz WPGGHYOMEIMXGU-ZDUSSCGKSA-N 1 2 310.781 1.911 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000750048238 700200137 /nfs/dbraw/zinc/20/01/37/700200137.db2.gz WPGGHYOMEIMXGU-ZDUSSCGKSA-N 1 2 310.781 1.911 20 10 DDCDLO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756404240 700619798 /nfs/dbraw/zinc/61/97/98/700619798.db2.gz SBTBKGIZIYBHKH-SECBINFHSA-N 1 2 322.377 1.603 20 10 DDCDLO CCN1CC[NH+](C[C@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000759096188 700737155 /nfs/dbraw/zinc/73/71/55/700737155.db2.gz XABLMGTYBQOLGF-GFCCVEGCSA-N 1 2 311.451 1.457 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815053181 701789023 /nfs/dbraw/zinc/78/90/23/701789023.db2.gz MSICVTDLAGIATK-INIZCTEOSA-N 1 2 306.406 1.825 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815053181 701789027 /nfs/dbraw/zinc/78/90/27/701789027.db2.gz MSICVTDLAGIATK-INIZCTEOSA-N 1 2 306.406 1.825 20 10 DDCDLO CC(=O)C(=O)COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811325154 701959764 /nfs/dbraw/zinc/95/97/64/701959764.db2.gz IUUDOQOGKIAMQQ-UHFFFAOYSA-N 1 2 300.314 1.175 20 10 DDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000816890608 702209302 /nfs/dbraw/zinc/20/93/02/702209302.db2.gz QNQQMZAIXRUSOO-UHFFFAOYSA-N 1 2 318.352 1.244 20 10 DDCDLO CCOc1cccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848564044 703563560 /nfs/dbraw/zinc/56/35/60/703563560.db2.gz AHLBTCKUVRICSQ-UHFFFAOYSA-N 1 2 305.382 1.822 20 10 DDCDLO Oc1cc2c(cc1CN1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000853551360 704266212 /nfs/dbraw/zinc/26/62/12/704266212.db2.gz VZIYRVBFHVHPPI-QGZVFWFLSA-N 1 2 302.418 1.787 20 10 DDCDLO COc1ccc(N2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000854981551 704465002 /nfs/dbraw/zinc/46/50/02/704465002.db2.gz VMOCSSUTSXKIBI-CYBMUJFWSA-N 1 2 314.389 1.604 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000835045790 707162022 /nfs/dbraw/zinc/16/20/22/707162022.db2.gz ZDTJXYPPWILUJH-NHZBNJEXSA-N 1 2 314.389 1.002 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000835045790 707162025 /nfs/dbraw/zinc/16/20/25/707162025.db2.gz ZDTJXYPPWILUJH-NHZBNJEXSA-N 1 2 314.389 1.002 20 10 DDCDLO O=C1NCCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000839195592 708035244 /nfs/dbraw/zinc/03/52/44/708035244.db2.gz LGKVGSXCOXYRNO-JTQLQIEISA-N 1 2 313.195 1.771 20 10 DDCDLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000897062019 708220038 /nfs/dbraw/zinc/22/00/38/708220038.db2.gz NRAHZMILSDJFHF-QMMMGPOBSA-N 1 2 322.789 1.295 20 10 DDCDLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000897062019 708220042 /nfs/dbraw/zinc/22/00/42/708220042.db2.gz NRAHZMILSDJFHF-QMMMGPOBSA-N 1 2 322.789 1.295 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1OC ZINC000892084798 710368799 /nfs/dbraw/zinc/36/87/99/710368799.db2.gz DDHXZUMJTFEKJQ-FLCAKIMKSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1OC ZINC000892084798 710368801 /nfs/dbraw/zinc/36/88/01/710368801.db2.gz DDHXZUMJTFEKJQ-FLCAKIMKSA-N 1 2 313.419 1.751 20 10 DDCDLO Cn1cnnc1N1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895187057 711448027 /nfs/dbraw/zinc/44/80/27/711448027.db2.gz ISSXVTCFXOSIIZ-UHFFFAOYSA-N 1 2 309.320 1.121 20 10 DDCDLO CC[C@H]1C[C@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)CCO1 ZINC001170159675 765961100 /nfs/dbraw/zinc/96/11/00/765961100.db2.gz BGMNEJPEGAXVHA-RDBSUJKOSA-N 1 2 323.389 1.729 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nnc(C)n2C)c1 ZINC001320119051 866489592 /nfs/dbraw/zinc/48/95/92/866489592.db2.gz VRHGAHREGQOJLV-VIFPVBQESA-N 1 2 304.350 1.467 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(OC)cc1O ZINC001203628631 870682139 /nfs/dbraw/zinc/68/21/39/870682139.db2.gz FFNBMBZWHPPQGZ-ZSOGYDGISA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(OC)cc1O ZINC001203628631 870682147 /nfs/dbraw/zinc/68/21/47/870682147.db2.gz FFNBMBZWHPPQGZ-ZSOGYDGISA-N 1 2 321.373 1.553 20 10 DDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233755849 887280849 /nfs/dbraw/zinc/28/08/49/887280849.db2.gz ZINYBPAWVRBJFT-MRVPVSSYSA-N 1 2 304.268 1.611 20 10 DDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233755849 887280866 /nfs/dbraw/zinc/28/08/66/887280866.db2.gz ZINYBPAWVRBJFT-MRVPVSSYSA-N 1 2 304.268 1.611 20 10 DDCDLO NC(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237119657 889510567 /nfs/dbraw/zinc/51/05/67/889510567.db2.gz DNZRUGADQXILNM-UHFFFAOYSA-N 1 2 301.749 1.817 20 10 DDCDLO CCCOc1ccc(C[NH+]2CC(NC(=O)COC)C2)c(O)c1 ZINC000297349658 132011191 /nfs/dbraw/zinc/01/11/91/132011191.db2.gz GIZMPRHQYFONPP-UHFFFAOYSA-N 1 2 308.378 1.128 20 10 DDCDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000195663368 407470256 /nfs/dbraw/zinc/47/02/56/407470256.db2.gz VSMPNVRIPTWJMN-GJZGRUSLSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000195663368 407470264 /nfs/dbraw/zinc/47/02/64/407470264.db2.gz VSMPNVRIPTWJMN-GJZGRUSLSA-N 1 2 319.449 1.820 20 10 DDCDLO CNS(=O)(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271744562 407732919 /nfs/dbraw/zinc/73/29/19/407732919.db2.gz SEBILQHLAAOOAN-UHFFFAOYSA-N 1 2 318.826 1.559 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179572918 407809463 /nfs/dbraw/zinc/80/94/63/407809463.db2.gz FOATWANLUKTJHK-AWEZNQCLSA-N 1 2 324.808 1.869 20 10 DDCDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(F)ccc(O)c1O ZINC000276668423 408895205 /nfs/dbraw/zinc/89/52/05/408895205.db2.gz YZZNTMDQLDICPY-SNVBAGLBSA-N 1 2 317.320 1.641 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1OC ZINC000277301682 408915431 /nfs/dbraw/zinc/91/54/31/408915431.db2.gz AXDFFSGPYZSHSV-MQJDWESPSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1OC ZINC000277301682 408915435 /nfs/dbraw/zinc/91/54/35/408915435.db2.gz AXDFFSGPYZSHSV-MQJDWESPSA-N 1 2 313.419 1.752 20 10 DDCDLO COCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000290568418 409446224 /nfs/dbraw/zinc/44/62/24/409446224.db2.gz SWRSINVOPNNQJN-CYBMUJFWSA-N 1 2 317.382 1.167 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c(O)c1O ZINC000374377178 418524016 /nfs/dbraw/zinc/52/40/16/418524016.db2.gz ZMHFLYNYFZLHPP-CQSZACIVSA-N 1 2 313.357 1.588 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)n1 ZINC000364237047 295199440 /nfs/dbraw/zinc/19/94/40/295199440.db2.gz XXVPFFMSCJLUJY-JTQLQIEISA-N 1 2 322.752 1.865 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)n1 ZINC000364237047 295199441 /nfs/dbraw/zinc/19/94/41/295199441.db2.gz XXVPFFMSCJLUJY-JTQLQIEISA-N 1 2 322.752 1.865 20 10 DDCDLO COc1cccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1O ZINC000364218695 525996476 /nfs/dbraw/zinc/99/64/76/525996476.db2.gz XDBCFGIFHWQPKC-GFCCVEGCSA-N 1 2 301.346 1.476 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000030985114 696116689 /nfs/dbraw/zinc/11/66/89/696116689.db2.gz FPZRZZHDUUNNTM-UHFFFAOYSA-N 1 2 301.394 1.839 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NCC3CCC3)CC2)cc1 ZINC000066472181 696352837 /nfs/dbraw/zinc/35/28/37/696352837.db2.gz SPDJVSMULUJELF-UHFFFAOYSA-N 1 2 317.433 1.734 20 10 DDCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CC(N)=O)C2=O)c1 ZINC000776725760 698133817 /nfs/dbraw/zinc/13/38/17/698133817.db2.gz FEJSPGOUJKXTPH-BJMVGYQFSA-N 1 2 323.399 1.085 20 10 DDCDLO COc1ccc(N2CCN(c3nc[nH+]c(N)c3OC)CC2)cc1 ZINC000322390019 698734663 /nfs/dbraw/zinc/73/46/63/698734663.db2.gz PYZJWHNBZNPPGC-UHFFFAOYSA-N 1 2 315.377 1.403 20 10 DDCDLO COc1ccc(N2CCN(c3[nH+]cnc(N)c3OC)CC2)cc1 ZINC000322390019 698734665 /nfs/dbraw/zinc/73/46/65/698734665.db2.gz PYZJWHNBZNPPGC-UHFFFAOYSA-N 1 2 315.377 1.403 20 10 DDCDLO C[S@](=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745072 699276601 /nfs/dbraw/zinc/27/66/01/699276601.db2.gz JZXUVYRAXUENOQ-INIZCTEOSA-N 1 2 310.188 1.762 20 10 DDCDLO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@@H+]1CCO ZINC000792180867 699680833 /nfs/dbraw/zinc/68/08/33/699680833.db2.gz VNQGRCWYKSSLIZ-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@H+]1CCO ZINC000792180867 699680837 /nfs/dbraw/zinc/68/08/37/699680837.db2.gz VNQGRCWYKSSLIZ-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO COC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000794837506 699832480 /nfs/dbraw/zinc/83/24/80/699832480.db2.gz SDHYPAXFVMVOQT-VXNVDRBHSA-N 1 2 322.174 1.952 20 10 DDCDLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806168719 701428696 /nfs/dbraw/zinc/42/86/96/701428696.db2.gz YFHNWRSNPZHLIP-LBPRGKRZSA-N 1 2 319.384 1.642 20 10 DDCDLO CN(C)c1[nH+]cc(/C=C2\SC(N3CCCCC3)=NC2=O)n1C ZINC000840712548 702218005 /nfs/dbraw/zinc/21/80/05/702218005.db2.gz DAVRQNWMJYKBMR-XFXZXTDPSA-N 1 2 319.434 1.942 20 10 DDCDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844390477 703024507 /nfs/dbraw/zinc/02/45/07/703024507.db2.gz HROCOVILRLVDPL-WMLDXEAASA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844390477 703024510 /nfs/dbraw/zinc/02/45/10/703024510.db2.gz HROCOVILRLVDPL-WMLDXEAASA-N 1 2 319.449 1.868 20 10 DDCDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844393273 703024882 /nfs/dbraw/zinc/02/48/82/703024882.db2.gz QCTPJJKYKLFZJQ-QWHCGFSZSA-N 1 2 313.781 1.830 20 10 DDCDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844393273 703024884 /nfs/dbraw/zinc/02/48/84/703024884.db2.gz QCTPJJKYKLFZJQ-QWHCGFSZSA-N 1 2 313.781 1.830 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000857226251 704565893 /nfs/dbraw/zinc/56/58/93/704565893.db2.gz JAYUETDJVOHKSC-PKOBYXMFSA-N 1 2 314.477 1.752 20 10 DDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H](C)[N@H+]1CCO ZINC000877568308 706145404 /nfs/dbraw/zinc/14/54/04/706145404.db2.gz KNBNCZBYBSTCMK-PHIMTYICSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H](C)[N@@H+]1CCO ZINC000877568308 706145406 /nfs/dbraw/zinc/14/54/06/706145406.db2.gz KNBNCZBYBSTCMK-PHIMTYICSA-N 1 2 300.349 1.557 20 10 DDCDLO COC(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@H+](C)C1 ZINC000877587123 706150581 /nfs/dbraw/zinc/15/05/81/706150581.db2.gz FUAXBOGHCVAHQX-NSHDSACASA-N 1 2 314.332 1.207 20 10 DDCDLO COC(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@@H+](C)C1 ZINC000877587123 706150583 /nfs/dbraw/zinc/15/05/83/706150583.db2.gz FUAXBOGHCVAHQX-NSHDSACASA-N 1 2 314.332 1.207 20 10 DDCDLO Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)nc(N)[nH+]1 ZINC000865452030 706435163 /nfs/dbraw/zinc/43/51/63/706435163.db2.gz BEUPSRQBDXTIKP-UHFFFAOYSA-N 1 2 318.356 1.350 20 10 DDCDLO Cc1nc(N)nc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]1 ZINC000865452030 706435165 /nfs/dbraw/zinc/43/51/65/706435165.db2.gz BEUPSRQBDXTIKP-UHFFFAOYSA-N 1 2 318.356 1.350 20 10 DDCDLO COc1ccc(C[NH2+]Cc2nc(N(C)C)no2)c(O)c1OC ZINC000893674425 710772608 /nfs/dbraw/zinc/77/26/08/710772608.db2.gz IKVMZFHUJIPNLB-UHFFFAOYSA-N 1 2 308.338 1.148 20 10 DDCDLO C[C@H]([C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1O)S(C)(=O)=O ZINC000894025501 710934125 /nfs/dbraw/zinc/93/41/25/710934125.db2.gz CJCRZBNZMMFMSV-DTWKUNHWSA-N 1 2 307.362 1.924 20 10 DDCDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1O)S(C)(=O)=O ZINC000894025501 710934128 /nfs/dbraw/zinc/93/41/28/710934128.db2.gz CJCRZBNZMMFMSV-DTWKUNHWSA-N 1 2 307.362 1.924 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000928642847 713247167 /nfs/dbraw/zinc/24/71/67/713247167.db2.gz IGGZBIHVCAEGND-KXQLTZBTSA-N 1 2 320.389 1.338 20 10 DDCDLO CN(CC[NH2+]Cc1cccc(Cl)c1O)CCOCCO ZINC000895665546 711572948 /nfs/dbraw/zinc/57/29/48/711572948.db2.gz LPAXYENWIKPMDV-UHFFFAOYSA-N 1 2 302.802 1.076 20 10 DDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1c(O)cccc1F ZINC000928705940 713468812 /nfs/dbraw/zinc/46/88/12/713468812.db2.gz MRTUIHPLRMPLQQ-UHFFFAOYSA-N 1 2 303.337 1.923 20 10 DDCDLO Cc1ccnc(N2CC[NH+](Cc3c(O)cccc3F)CC2)n1 ZINC001137841363 752670203 /nfs/dbraw/zinc/67/02/03/752670203.db2.gz BNJCWBLOQHWLHX-UHFFFAOYSA-N 1 2 302.353 1.952 20 10 DDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCCOc1cc[nH+]cc1 ZINC001179690556 779448339 /nfs/dbraw/zinc/44/83/39/779448339.db2.gz SLXGZIUGTFSMFB-DUXPYHPUSA-N 1 2 300.314 1.701 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC001180129758 779615869 /nfs/dbraw/zinc/61/58/69/779615869.db2.gz FZSACDDPUNXPHK-YXMGTMDOSA-N 1 2 303.406 1.213 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC001180129758 779615871 /nfs/dbraw/zinc/61/58/71/779615871.db2.gz FZSACDDPUNXPHK-YXMGTMDOSA-N 1 2 303.406 1.213 20 10 DDCDLO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1[NH3+] ZINC001236343251 846571841 /nfs/dbraw/zinc/57/18/41/846571841.db2.gz PAWMUFUWPIZHPY-GXSJLCMTSA-N 1 2 319.188 1.631 20 10 DDCDLO COCCOCN1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276353968 855710353 /nfs/dbraw/zinc/71/03/53/855710353.db2.gz ATMAQOCOENLWRC-UHFFFAOYSA-N 1 2 310.369 1.269 20 10 DDCDLO C[NH+](C)Cc1csc(CNC(=O)Cc2ccc(N)cc2)n1 ZINC001122237290 858722316 /nfs/dbraw/zinc/72/23/16/858722316.db2.gz VGMSOLPDIXTFPV-UHFFFAOYSA-N 1 2 304.419 1.646 20 10 DDCDLO Oc1cc(F)c(F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001142521078 861171005 /nfs/dbraw/zinc/17/10/05/861171005.db2.gz WRUFWXCNAUXHLY-ZDUSSCGKSA-N 1 2 312.360 1.967 20 10 DDCDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c(O)cccc2O)[nH]n1 ZINC001156886208 863417295 /nfs/dbraw/zinc/41/72/95/863417295.db2.gz VVFBFYJACQMLRK-CYBMUJFWSA-N 1 2 316.361 1.518 20 10 DDCDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c(O)cccc2O)[nH]n1 ZINC001156886208 863417304 /nfs/dbraw/zinc/41/73/04/863417304.db2.gz VVFBFYJACQMLRK-CYBMUJFWSA-N 1 2 316.361 1.518 20 10 DDCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cnn(C)c21 ZINC001203876637 870811161 /nfs/dbraw/zinc/81/11/61/870811161.db2.gz GMNQYVUJLGSZJC-CQSZACIVSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cnn(C)c21 ZINC001203876637 870811168 /nfs/dbraw/zinc/81/11/68/870811168.db2.gz GMNQYVUJLGSZJC-CQSZACIVSA-N 1 2 317.389 1.967 20 10 DDCDLO COCCN1CC[N@H+](Cc2cc(C(C)C)ccc2O)CC1=O ZINC001308676038 871518087 /nfs/dbraw/zinc/51/80/87/871518087.db2.gz JHXUEOUBKJSQGX-UHFFFAOYSA-N 1 2 306.406 1.806 20 10 DDCDLO COCCN1CC[N@@H+](Cc2cc(C(C)C)ccc2O)CC1=O ZINC001308676038 871518102 /nfs/dbraw/zinc/51/81/02/871518102.db2.gz JHXUEOUBKJSQGX-UHFFFAOYSA-N 1 2 306.406 1.806 20 10 DDCDLO COc1ccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)N(C)C)O3)c(O)c1 ZINC001277456482 884495709 /nfs/dbraw/zinc/49/57/09/884495709.db2.gz GSKMCODENFQJHX-HNNXBMFYSA-N 1 2 320.389 1.222 20 10 DDCDLO COc1ncnc(OC)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232520005 886452733 /nfs/dbraw/zinc/45/27/33/886452733.db2.gz NOWYGLOITVRFOQ-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1ncnc(OC)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232520005 886452742 /nfs/dbraw/zinc/45/27/42/886452742.db2.gz NOWYGLOITVRFOQ-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO CC1(C)C[N@@H+](C2CN(Cc3cc(O)c(O)c(O)c3)C2)CCO1 ZINC001233016839 886730472 /nfs/dbraw/zinc/73/04/72/886730472.db2.gz PWUYVAIULWKQLK-UHFFFAOYSA-N 1 2 308.378 1.098 20 10 DDCDLO CC1(C)C[N@H+](C2CN(Cc3cc(O)c(O)c(O)c3)C2)CCO1 ZINC001233016839 886730477 /nfs/dbraw/zinc/73/04/77/886730477.db2.gz PWUYVAIULWKQLK-UHFFFAOYSA-N 1 2 308.378 1.098 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078755 889498154 /nfs/dbraw/zinc/49/81/54/889498154.db2.gz WOIRZTGHRDEORH-LDYMZIIASA-N 1 2 306.189 1.874 20 10 DDCDLO C[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237616439 889759172 /nfs/dbraw/zinc/75/91/72/889759172.db2.gz CSRFOZTYMYZDSH-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237616439 889759185 /nfs/dbraw/zinc/75/91/85/889759185.db2.gz CSRFOZTYMYZDSH-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO CC[C@]1(C(=O)OC)C[C@H](N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC001246901587 892978457 /nfs/dbraw/zinc/97/84/57/892978457.db2.gz OJPMELIMXTUNGO-FUHWJXTLSA-N 1 2 319.449 1.868 20 10 DDCDLO COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000092105632 353844492 /nfs/dbraw/zinc/84/44/92/353844492.db2.gz DBIHNKMCWGYSNB-KGLIPLIRSA-N 1 2 304.390 1.891 20 10 DDCDLO COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000092105632 353844495 /nfs/dbraw/zinc/84/44/95/353844495.db2.gz DBIHNKMCWGYSNB-KGLIPLIRSA-N 1 2 304.390 1.891 20 10 DDCDLO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)c(F)c1O ZINC000187671092 296116003 /nfs/dbraw/zinc/11/60/03/296116003.db2.gz APHHOQJTBDCLOM-ZCFIWIBFSA-N 1 2 312.238 2.000 20 10 DDCDLO CS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761891 407397266 /nfs/dbraw/zinc/39/72/66/407397266.db2.gz MXKCKDYYPXVUCE-AWEZNQCLSA-N 1 2 313.419 1.418 20 10 DDCDLO CS(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761891 407397268 /nfs/dbraw/zinc/39/72/68/407397268.db2.gz MXKCKDYYPXVUCE-AWEZNQCLSA-N 1 2 313.419 1.418 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604596 408262907 /nfs/dbraw/zinc/26/29/07/408262907.db2.gz SUZDQYQEPHWLAD-AAEUAGOBSA-N 1 2 308.382 1.197 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604596 408262915 /nfs/dbraw/zinc/26/29/15/408262915.db2.gz SUZDQYQEPHWLAD-AAEUAGOBSA-N 1 2 308.382 1.197 20 10 DDCDLO C[N@@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000276493316 408869738 /nfs/dbraw/zinc/86/97/38/408869738.db2.gz BAJKKGBPQNCEKF-UHFFFAOYSA-N 1 2 323.349 1.934 20 10 DDCDLO C[N@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000276493316 408869741 /nfs/dbraw/zinc/86/97/41/408869741.db2.gz BAJKKGBPQNCEKF-UHFFFAOYSA-N 1 2 323.349 1.934 20 10 DDCDLO C[C@H](O)c1cn(C2C[NH+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000374797402 418563970 /nfs/dbraw/zinc/56/39/70/418563970.db2.gz FGAMAWWYVHGMLE-VIFPVBQESA-N 1 2 308.769 1.747 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000377694122 418713363 /nfs/dbraw/zinc/71/33/63/418713363.db2.gz KQDFHKBGENNALT-TVQRCGJNSA-N 1 2 301.795 1.665 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000377694122 418713365 /nfs/dbraw/zinc/71/33/65/418713365.db2.gz KQDFHKBGENNALT-TVQRCGJNSA-N 1 2 301.795 1.665 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000365817884 418912722 /nfs/dbraw/zinc/91/27/22/418912722.db2.gz CRHAKYYYDLZHKJ-CYBMUJFWSA-N 1 2 321.352 1.286 20 10 DDCDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000121980822 696717930 /nfs/dbraw/zinc/71/79/30/696717930.db2.gz MGPUXTMJASEKNL-ZDUSSCGKSA-N 1 2 323.412 1.871 20 10 DDCDLO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(F)cc1O ZINC000796967731 699988717 /nfs/dbraw/zinc/98/87/17/699988717.db2.gz ZDKMCDQBTWSEEN-GFCCVEGCSA-N 1 2 306.341 1.894 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779667037 698451951 /nfs/dbraw/zinc/45/19/51/698451951.db2.gz ZGIWJQPVKMUAHS-ZDUSSCGKSA-N 1 2 300.362 1.745 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000734063790 699635799 /nfs/dbraw/zinc/63/57/99/699635799.db2.gz NONSBNAVGKBJJO-LLVKDONJSA-N 1 2 304.350 1.485 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c1 ZINC000769448045 701245208 /nfs/dbraw/zinc/24/52/08/701245208.db2.gz XZKKZMMHJUYZIA-AWEZNQCLSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c1 ZINC000769448045 701245209 /nfs/dbraw/zinc/24/52/09/701245209.db2.gz XZKKZMMHJUYZIA-AWEZNQCLSA-N 1 2 309.362 1.555 20 10 DDCDLO CS(=O)(=O)NC1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816600535 702123635 /nfs/dbraw/zinc/12/36/35/702123635.db2.gz AJGBJNTZWRGIBW-UHFFFAOYSA-N 1 2 322.789 1.355 20 10 DDCDLO COCC(COC)[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000840955196 702292566 /nfs/dbraw/zinc/29/25/66/702292566.db2.gz RVIHWBLZNOFYOZ-UHFFFAOYSA-N 1 2 308.422 1.480 20 10 DDCDLO C[NH+]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817980071 702542906 /nfs/dbraw/zinc/54/29/06/702542906.db2.gz REGSTEBZBBFQGP-UHFFFAOYSA-N 1 2 316.430 1.704 20 10 DDCDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)n1 ZINC000818347213 702639267 /nfs/dbraw/zinc/63/92/67/702639267.db2.gz YLLJKVIOIQFKCF-SNVBAGLBSA-N 1 2 318.377 1.949 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nncn2C)cc1 ZINC000844402936 703026791 /nfs/dbraw/zinc/02/67/91/703026791.db2.gz XFHVRRRJQDBBKD-CYBMUJFWSA-N 1 2 303.410 1.953 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nncn2C)cc1 ZINC000844402936 703026794 /nfs/dbraw/zinc/02/67/94/703026794.db2.gz XFHVRRRJQDBBKD-CYBMUJFWSA-N 1 2 303.410 1.953 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847695904 703454024 /nfs/dbraw/zinc/45/40/24/703454024.db2.gz IREVISUQXMCXHE-QWRGUYRKSA-N 1 2 303.362 1.747 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847695904 703454026 /nfs/dbraw/zinc/45/40/26/703454026.db2.gz IREVISUQXMCXHE-QWRGUYRKSA-N 1 2 303.362 1.747 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862534374 705728198 /nfs/dbraw/zinc/72/81/98/705728198.db2.gz AKTDINIGLZFJHZ-LLVKDONJSA-N 1 2 314.769 1.130 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862534374 705728203 /nfs/dbraw/zinc/72/82/03/705728203.db2.gz AKTDINIGLZFJHZ-LLVKDONJSA-N 1 2 314.769 1.130 20 10 DDCDLO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883158091 707943081 /nfs/dbraw/zinc/94/30/81/707943081.db2.gz UMXDGHACTZEAGG-KZCWHLCOSA-N 1 2 317.158 1.647 20 10 DDCDLO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000898192500 708570108 /nfs/dbraw/zinc/57/01/08/708570108.db2.gz KFPUKUSRTYMCDA-GOEBONIOSA-N 1 2 312.360 1.567 20 10 DDCDLO O[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000898192500 708570109 /nfs/dbraw/zinc/57/01/09/708570109.db2.gz KFPUKUSRTYMCDA-GOEBONIOSA-N 1 2 312.360 1.567 20 10 DDCDLO COC(=O)CC1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661500 735252818 /nfs/dbraw/zinc/25/28/18/735252818.db2.gz GXKMIQDEMTYCPK-UHFFFAOYSA-N 1 2 322.380 1.657 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744269 735963732 /nfs/dbraw/zinc/96/37/32/735963732.db2.gz RMFWIECQDJGASP-GFCCVEGCSA-N 1 2 307.346 1.360 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744269 735963734 /nfs/dbraw/zinc/96/37/34/735963734.db2.gz RMFWIECQDJGASP-GFCCVEGCSA-N 1 2 307.346 1.360 20 10 DDCDLO Nc1ccc(N(CCO)c2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212358371 751088643 /nfs/dbraw/zinc/08/86/43/751088643.db2.gz IHOWESMWAPYKJH-UHFFFAOYSA-N 1 2 314.389 1.631 20 10 DDCDLO CC[C@H](C(=O)NCc1c(O)cccc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC001178912710 779225773 /nfs/dbraw/zinc/22/57/73/779225773.db2.gz WYUXVOQCSDTFBV-GXTWGEPZSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@H](C(=O)NCc1c(O)cccc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC001178912710 779225777 /nfs/dbraw/zinc/22/57/77/779225777.db2.gz WYUXVOQCSDTFBV-GXTWGEPZSA-N 1 2 322.405 1.603 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)cc(Cl)c1O ZINC001236193322 846544017 /nfs/dbraw/zinc/54/40/17/846544017.db2.gz BGECVZUEWUKFNX-KOLCDFICSA-N 1 2 319.188 1.774 20 10 DDCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001273304012 849374213 /nfs/dbraw/zinc/37/42/13/849374213.db2.gz QLVNFIPVIVUBFI-GFCCVEGCSA-N 1 2 322.380 1.743 20 10 DDCDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276361018 855741789 /nfs/dbraw/zinc/74/17/89/855741789.db2.gz ZMVHLJRHRPRQEQ-BETUJISGSA-N 1 2 310.369 1.410 20 10 DDCDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276361018 855741792 /nfs/dbraw/zinc/74/17/92/855741792.db2.gz ZMVHLJRHRPRQEQ-BETUJISGSA-N 1 2 310.369 1.410 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001141028224 860765509 /nfs/dbraw/zinc/76/55/09/860765509.db2.gz GOQVUMBTHWXZTC-LLVKDONJSA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001141028224 860765515 /nfs/dbraw/zinc/76/55/15/860765515.db2.gz GOQVUMBTHWXZTC-LLVKDONJSA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CN(C)C[C@H]32)c(OC)c1 ZINC001141029127 860767351 /nfs/dbraw/zinc/76/73/51/860767351.db2.gz JQJYEKIHCRLMAR-IUODEOHRSA-N 1 2 306.406 1.935 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3CN(C)C[C@H]32)c(OC)c1 ZINC001141029127 860767355 /nfs/dbraw/zinc/76/73/55/860767355.db2.gz JQJYEKIHCRLMAR-IUODEOHRSA-N 1 2 306.406 1.935 20 10 DDCDLO CCOC[C@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141157664 860797984 /nfs/dbraw/zinc/79/79/84/860797984.db2.gz LLSOAJFGXLCWTM-CYBMUJFWSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141157664 860797987 /nfs/dbraw/zinc/79/79/87/860797987.db2.gz LLSOAJFGXLCWTM-CYBMUJFWSA-N 1 2 317.389 1.967 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC001331230856 864955654 /nfs/dbraw/zinc/95/56/54/864955654.db2.gz YAENJTRSEQYXAG-ZIAGYGMSSA-N 1 2 314.389 1.848 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nnn(C)c21 ZINC001203671052 870703846 /nfs/dbraw/zinc/70/38/46/870703846.db2.gz IAPMWRQTQAXWSF-LBPRGKRZSA-N 1 2 318.377 1.275 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nnn(C)c21 ZINC001203671052 870703855 /nfs/dbraw/zinc/70/38/55/870703855.db2.gz IAPMWRQTQAXWSF-LBPRGKRZSA-N 1 2 318.377 1.275 20 10 DDCDLO COc1cc(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)cc(O)c1O ZINC001204350179 871071106 /nfs/dbraw/zinc/07/11/06/871071106.db2.gz DRSHUFHDXDYSTC-VXGBXAGGSA-N 1 2 322.405 1.400 20 10 DDCDLO CC(C)c1ccc(O)c(C[NH+]2CCN(S(C)(=O)=O)CC2)c1 ZINC001308580083 871514029 /nfs/dbraw/zinc/51/40/29/871514029.db2.gz MQDSTCVAPXNONE-UHFFFAOYSA-N 1 2 312.435 1.593 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C2)cc1 ZINC001342197434 872063788 /nfs/dbraw/zinc/06/37/88/872063788.db2.gz HVZIPJYJTBFMGZ-ZWNOBZJWSA-N 1 2 313.348 1.373 20 10 DDCDLO CNC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854302 885906568 /nfs/dbraw/zinc/90/65/68/885906568.db2.gz BZRLSLSQXVYCOX-UHFFFAOYSA-N 1 2 306.410 1.218 20 10 DDCDLO CCN1C[C@@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)CC1=O ZINC001236755463 889333783 /nfs/dbraw/zinc/33/37/83/889333783.db2.gz FHXGLIKPDHIPJG-LLVKDONJSA-N 1 2 308.378 1.462 20 10 DDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1=O ZINC001236755463 889333796 /nfs/dbraw/zinc/33/37/96/889333796.db2.gz FHXGLIKPDHIPJG-LLVKDONJSA-N 1 2 308.378 1.462 20 10 DDCDLO OCC1C[NH+](Cc2cccc(I)c2O)C1 ZINC001237781099 889842755 /nfs/dbraw/zinc/84/27/55/889842755.db2.gz RYCLAGXYCULBOL-UHFFFAOYSA-N 1 2 319.142 1.421 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1O ZINC000276269370 299319573 /nfs/dbraw/zinc/31/95/73/299319573.db2.gz ZEWWCMZNOJZUHR-DTWKUNHWSA-N 1 2 305.346 1.756 20 10 DDCDLO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)C(N)=O ZINC000079432321 407053582 /nfs/dbraw/zinc/05/35/82/407053582.db2.gz XKJWFATWIYGLBH-VIFPVBQESA-N 1 2 312.341 1.056 20 10 DDCDLO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)C(N)=O ZINC000079432321 407053585 /nfs/dbraw/zinc/05/35/85/407053585.db2.gz XKJWFATWIYGLBH-VIFPVBQESA-N 1 2 312.341 1.056 20 10 DDCDLO COc1ccc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000053898593 407176092 /nfs/dbraw/zinc/17/60/92/407176092.db2.gz CBMOWECPSITILI-UHFFFAOYSA-N 1 2 300.362 1.241 20 10 DDCDLO O=C(NCCn1cc[nH+]c1)NCc1ccc(N2CC=CC2)cc1 ZINC000152711019 407672569 /nfs/dbraw/zinc/67/25/69/407672569.db2.gz LIZOIDNZWNAEPY-UHFFFAOYSA-N 1 2 311.389 1.759 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000187150331 407825174 /nfs/dbraw/zinc/82/51/74/407825174.db2.gz DZEYHAYEJXCZDS-CYBMUJFWSA-N 1 2 320.389 1.425 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154114604 407974589 /nfs/dbraw/zinc/97/45/89/407974589.db2.gz NIJFPRJTECUZBR-UHFFFAOYSA-N 1 2 317.433 1.624 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154114604 407974595 /nfs/dbraw/zinc/97/45/95/407974595.db2.gz NIJFPRJTECUZBR-UHFFFAOYSA-N 1 2 317.433 1.624 20 10 DDCDLO Nc1ccnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000135185842 407989848 /nfs/dbraw/zinc/98/98/48/407989848.db2.gz GLUFCISDYMLNGL-AWEZNQCLSA-N 1 2 314.389 1.946 20 10 DDCDLO Nc1ccnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000135185842 407989852 /nfs/dbraw/zinc/98/98/52/407989852.db2.gz GLUFCISDYMLNGL-AWEZNQCLSA-N 1 2 314.389 1.946 20 10 DDCDLO C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000121971252 408246413 /nfs/dbraw/zinc/24/64/13/408246413.db2.gz BXKPZWUMQKNTNV-HNNXBMFYSA-N 1 2 318.465 1.347 20 10 DDCDLO Cc1cc(C[NH+]2CCN(S(C)(=O)=O)CC2)ccc1N(C)C ZINC000293541259 409134024 /nfs/dbraw/zinc/13/40/24/409134024.db2.gz QHTYUVNCSRPIDC-UHFFFAOYSA-N 1 2 311.451 1.138 20 10 DDCDLO COc1cccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1O ZINC000374817647 418565697 /nfs/dbraw/zinc/56/56/97/418565697.db2.gz ITRHPEJORGZCHP-SNVBAGLBSA-N 1 2 304.350 1.103 20 10 DDCDLO CC[C@H]([NH2+]CCS(=O)(=O)NC)c1cccc(Cl)c1O ZINC000287801344 288041881 /nfs/dbraw/zinc/04/18/81/288041881.db2.gz UDTLPNIKCMLIGT-NSHDSACASA-N 1 2 306.815 1.636 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000363795225 518277228 /nfs/dbraw/zinc/27/72/28/518277228.db2.gz NJMLZQBEWKODOJ-AWEZNQCLSA-N 1 2 324.808 1.765 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000363795225 518277237 /nfs/dbraw/zinc/27/72/37/518277237.db2.gz NJMLZQBEWKODOJ-AWEZNQCLSA-N 1 2 324.808 1.765 20 10 DDCDLO O=C(NCCCSc1nccs1)NCCn1cc[nH+]c1 ZINC000165092686 697338646 /nfs/dbraw/zinc/33/86/46/697338646.db2.gz BWOLVIOKLCBBDJ-UHFFFAOYSA-N 1 2 311.436 1.821 20 10 DDCDLO CN1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C[NH3+])C1 ZINC000226609785 697766940 /nfs/dbraw/zinc/76/69/40/697766940.db2.gz RZBFURRTSIPAHG-NSHDSACASA-N 1 2 304.221 1.774 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000773824910 697809008 /nfs/dbraw/zinc/80/90/08/697809008.db2.gz VZQMUPWKQCDOLP-AWEZNQCLSA-N 1 2 305.422 1.168 20 10 DDCDLO COCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743764 699276572 /nfs/dbraw/zinc/27/65/72/699276572.db2.gz BIEIVHLJPUZCAN-JTQLQIEISA-N 1 2 322.174 1.781 20 10 DDCDLO CN(C)c1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1F ZINC000791008536 699606547 /nfs/dbraw/zinc/60/65/47/699606547.db2.gz ZIHFYVLMGKZIIZ-UHFFFAOYSA-N 1 2 305.357 1.303 20 10 DDCDLO CCS(=O)(=O)N1CC[N@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000809725445 701682909 /nfs/dbraw/zinc/68/29/09/701682909.db2.gz SOJOICRDRMQJQY-LLVKDONJSA-N 1 2 316.398 1.387 20 10 DDCDLO CCS(=O)(=O)N1CC[N@@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000809725445 701682910 /nfs/dbraw/zinc/68/29/10/701682910.db2.gz SOJOICRDRMQJQY-LLVKDONJSA-N 1 2 316.398 1.387 20 10 DDCDLO O=C(/C=C\c1ccc(O)c(O)c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767576852 701117656 /nfs/dbraw/zinc/11/76/56/701117656.db2.gz QQULUIILAVIUTM-NSMYKGPDSA-N 1 2 319.357 1.517 20 10 DDCDLO O=C(/C=C\c1ccc(O)c(O)c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767576852 701117657 /nfs/dbraw/zinc/11/76/57/701117657.db2.gz QQULUIILAVIUTM-NSMYKGPDSA-N 1 2 319.357 1.517 20 10 DDCDLO COCc1n[nH]c(C[NH2+]CC=Cc2ccc(N(C)C)cc2)n1 ZINC000850360736 703727178 /nfs/dbraw/zinc/72/71/78/703727178.db2.gz OSBNRKNSHZJGRU-PLNGDYQASA-N 1 2 301.394 1.820 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000859490054 704916055 /nfs/dbraw/zinc/91/60/55/704916055.db2.gz VSOONLJZIZCLIV-HNNXBMFYSA-N 1 2 320.437 1.191 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000859490054 704916056 /nfs/dbraw/zinc/91/60/56/704916056.db2.gz VSOONLJZIZCLIV-HNNXBMFYSA-N 1 2 320.437 1.191 20 10 DDCDLO CCOC(=O)CN(CCn1cc[nH+]c1)Cc1ccccc1O ZINC000823576543 705270921 /nfs/dbraw/zinc/27/09/21/705270921.db2.gz SCAVDQJPIRYACT-UHFFFAOYSA-N 1 2 303.362 1.654 20 10 DDCDLO C[C@H]1C[N@H+](CCNC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875195802 705311977 /nfs/dbraw/zinc/31/19/77/705311977.db2.gz VHBOJBYVJCDOBI-LBPRGKRZSA-N 1 2 305.378 1.138 20 10 DDCDLO C[C@H]1C[N@@H+](CCNC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875195802 705311980 /nfs/dbraw/zinc/31/19/80/705311980.db2.gz VHBOJBYVJCDOBI-LBPRGKRZSA-N 1 2 305.378 1.138 20 10 DDCDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877558649 706142316 /nfs/dbraw/zinc/14/23/16/706142316.db2.gz LALPIWCNTIJCCQ-JTQLQIEISA-N 1 2 300.305 1.943 20 10 DDCDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877558649 706142317 /nfs/dbraw/zinc/14/23/17/706142317.db2.gz LALPIWCNTIJCCQ-JTQLQIEISA-N 1 2 300.305 1.943 20 10 DDCDLO C[N@@H+]1CCN(Cc2cccc(Br)c2O)[C@H](CO)C1 ZINC000877643470 706167650 /nfs/dbraw/zinc/16/76/50/706167650.db2.gz FQVQHOPXBFJFGE-NSHDSACASA-N 1 2 315.211 1.263 20 10 DDCDLO C[N@H+]1CCN(Cc2cccc(Br)c2O)[C@H](CO)C1 ZINC000877643470 706167651 /nfs/dbraw/zinc/16/76/51/706167651.db2.gz FQVQHOPXBFJFGE-NSHDSACASA-N 1 2 315.211 1.263 20 10 DDCDLO Oc1c(Br)cccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749553 706198779 /nfs/dbraw/zinc/19/87/79/706198779.db2.gz XASBVWKTHCWZEQ-MNOVXSKESA-N 1 2 302.168 1.082 20 10 DDCDLO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749553 706198781 /nfs/dbraw/zinc/19/87/81/706198781.db2.gz XASBVWKTHCWZEQ-MNOVXSKESA-N 1 2 302.168 1.082 20 10 DDCDLO COCCN1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882968843 707877941 /nfs/dbraw/zinc/87/79/41/707877941.db2.gz AKQUHQUTKYYRON-CYBMUJFWSA-N 1 2 300.349 1.871 20 10 DDCDLO C[C@H]([NH2+]CCN(C)CCOCCO)c1cc(F)cc(F)c1O ZINC000883350697 707982662 /nfs/dbraw/zinc/98/26/62/707982662.db2.gz NBMCYACBSDVLET-NSHDSACASA-N 1 2 318.364 1.262 20 10 DDCDLO COc1cc(Br)cc(C[NH+]2CC(C)(CO)C2)c1O ZINC000839145751 708030297 /nfs/dbraw/zinc/03/02/97/708030297.db2.gz SWHHQLSHUVDHIK-UHFFFAOYSA-N 1 2 316.195 1.978 20 10 DDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000900269911 709513649 /nfs/dbraw/zinc/51/36/49/709513649.db2.gz UTUHGSPNWDYXPO-UHFFFAOYSA-N 1 2 318.352 1.244 20 10 DDCDLO COc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(O)c1OC ZINC000891499249 710220107 /nfs/dbraw/zinc/22/01/07/710220107.db2.gz UOFVCJQSLYLRKM-UHFFFAOYSA-N 1 2 320.389 1.464 20 10 DDCDLO CCOc1ccc(C[NH+]2CC(C3CS(=O)(=O)C3)C2)c(O)c1 ZINC000895426567 711510007 /nfs/dbraw/zinc/51/00/07/711510007.db2.gz BKKPRNFNAVIHKB-UHFFFAOYSA-N 1 2 311.403 1.267 20 10 DDCDLO C[C@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccccc1O ZINC001175418363 777783104 /nfs/dbraw/zinc/78/31/04/777783104.db2.gz HVFQZTQMRBMWNE-VIFPVBQESA-N 1 2 311.363 1.171 20 10 DDCDLO CC[C@H](C(=O)NCc1cc(O)ccc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC001176755742 778244868 /nfs/dbraw/zinc/24/48/68/778244868.db2.gz UUKXVFJGYPZNCC-LSDHHAIUSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@H](C(=O)NCc1cc(O)ccc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC001176755742 778244875 /nfs/dbraw/zinc/24/48/75/778244875.db2.gz UUKXVFJGYPZNCC-LSDHHAIUSA-N 1 2 322.405 1.603 20 10 DDCDLO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326232931 861216286 /nfs/dbraw/zinc/21/62/86/861216286.db2.gz UGHATQCCATWMTH-GDBMZVCRSA-N 1 2 320.456 1.747 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237125424 846662730 /nfs/dbraw/zinc/66/27/30/846662730.db2.gz ZHJUHPCZBKTAFI-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237125424 846662737 /nfs/dbraw/zinc/66/27/37/846662737.db2.gz ZHJUHPCZBKTAFI-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO Cc1cnc(N2CC[NH+](Cc3cccc(F)c3O)CC2)nc1 ZINC001138131403 860013103 /nfs/dbraw/zinc/01/31/03/860013103.db2.gz ZDENRYMOVIGXBM-UHFFFAOYSA-N 1 2 302.353 1.952 20 10 DDCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC001202862896 860174883 /nfs/dbraw/zinc/17/48/83/860174883.db2.gz FLUVCXCJDFQEAI-LBPRGKRZSA-N 1 2 313.401 1.824 20 10 DDCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC001202862896 860174886 /nfs/dbraw/zinc/17/48/86/860174886.db2.gz FLUVCXCJDFQEAI-LBPRGKRZSA-N 1 2 313.401 1.824 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001139130184 860299141 /nfs/dbraw/zinc/29/91/41/860299141.db2.gz UQBMDUZXLOYUJI-GFCCVEGCSA-N 1 2 300.358 1.697 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@H+]2CC[C@@H]2C1 ZINC001139130184 860299150 /nfs/dbraw/zinc/29/91/50/860299150.db2.gz UQBMDUZXLOYUJI-GFCCVEGCSA-N 1 2 300.358 1.697 20 10 DDCDLO CCOC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661712 860669106 /nfs/dbraw/zinc/66/91/06/860669106.db2.gz ORYYCBGFFKJATN-UHFFFAOYSA-N 1 2 322.380 1.657 20 10 DDCDLO O=C1C[N@H+](Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC001204279639 871037996 /nfs/dbraw/zinc/03/79/96/871037996.db2.gz DHXIXXTUPIYZGM-UHFFFAOYSA-N 1 2 312.369 1.942 20 10 DDCDLO O=C1C[N@@H+](Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC001204279639 871038013 /nfs/dbraw/zinc/03/80/13/871038013.db2.gz DHXIXXTUPIYZGM-UHFFFAOYSA-N 1 2 312.369 1.942 20 10 DDCDLO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000400140039 876491782 /nfs/dbraw/zinc/49/17/82/876491782.db2.gz KKOPWCVXYHHUBV-SNVBAGLBSA-N 1 2 304.799 1.169 20 10 DDCDLO CN1CCCc2cc(C[NH+]3CC4(C3)CC[C@@H](C(N)=O)O4)ccc21 ZINC001277254407 883241565 /nfs/dbraw/zinc/24/15/65/883241565.db2.gz RRXXMYZYDDWDQE-INIZCTEOSA-N 1 2 315.417 1.288 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(O)cc1O ZINC001231639078 885779170 /nfs/dbraw/zinc/77/91/70/885779170.db2.gz LLGICZKMZWWQTP-UHFFFAOYSA-N 1 2 322.405 1.797 20 10 DDCDLO C[N@H+](Cc1c(O)ccc(F)c1F)C1CCS(=O)(=O)CC1 ZINC001233335007 886929149 /nfs/dbraw/zinc/92/91/49/886929149.db2.gz DDAGFWOGKZJRBN-UHFFFAOYSA-N 1 2 305.346 1.679 20 10 DDCDLO C[N@@H+](Cc1c(O)ccc(F)c1F)C1CCS(=O)(=O)CC1 ZINC001233335007 886929163 /nfs/dbraw/zinc/92/91/63/886929163.db2.gz DDAGFWOGKZJRBN-UHFFFAOYSA-N 1 2 305.346 1.679 20 10 DDCDLO Cn1ccc2c1cc[nH+]c2-c1cnc(N2CCN(C)CC2)nc1 ZINC001235913266 889005049 /nfs/dbraw/zinc/00/50/49/889005049.db2.gz GOQUVGYWCZWARH-UHFFFAOYSA-N 1 2 308.389 1.782 20 10 DDCDLO COC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921415 889420475 /nfs/dbraw/zinc/42/04/75/889420475.db2.gz GHWJQVANGFRSRV-UHFFFAOYSA-N 1 2 324.808 1.781 20 10 DDCDLO N#CN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237062901 889486335 /nfs/dbraw/zinc/48/63/35/889486335.db2.gz OZMZBCIMOKWXBS-UHFFFAOYSA-N 1 2 315.295 1.932 20 10 DDCDLO [NH3+]CCS(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001237719508 889826092 /nfs/dbraw/zinc/82/60/92/889826092.db2.gz LVXUBEHHLAHCRV-UHFFFAOYSA-N 1 2 302.355 1.598 20 10 DDCDLO COc1cc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)cc(O)c1O ZINC001278235774 890228405 /nfs/dbraw/zinc/22/84/05/890228405.db2.gz OYUITEFGUUUSFC-MEDUHNTESA-N 1 2 306.362 1.159 20 10 DDCDLO COc1cc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)cc(O)c1O ZINC001278235774 890228420 /nfs/dbraw/zinc/22/84/20/890228420.db2.gz OYUITEFGUUUSFC-MEDUHNTESA-N 1 2 306.362 1.159 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093103032 193203845 /nfs/dbraw/zinc/20/38/45/193203845.db2.gz ARSWSCYPKVWIEO-SJORKVTESA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093103032 193203847 /nfs/dbraw/zinc/20/38/47/193203847.db2.gz ARSWSCYPKVWIEO-SJORKVTESA-N 1 2 318.417 1.785 20 10 DDCDLO CN(C)[C@@H](C(=O)N(C)Cc1ccccc1O)c1c[nH+]cn1C ZINC000280704237 409416356 /nfs/dbraw/zinc/41/63/56/409416356.db2.gz FQUTYOXBHFASLN-OAHLLOKOSA-N 1 2 302.378 1.387 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC000373484137 418434047 /nfs/dbraw/zinc/43/40/47/418434047.db2.gz WUUGTULZQKIFJD-NWDGAFQWSA-N 1 2 307.325 1.785 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2cc(F)ccc2O)n1 ZINC000373484137 418434048 /nfs/dbraw/zinc/43/40/48/418434048.db2.gz WUUGTULZQKIFJD-NWDGAFQWSA-N 1 2 307.325 1.785 20 10 DDCDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC)cc1 ZINC000378445938 418723644 /nfs/dbraw/zinc/72/36/44/418723644.db2.gz WXXVVNGVEICSKM-KRWDZBQOSA-N 1 2 319.449 1.870 20 10 DDCDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC)cc1 ZINC000378445938 418723645 /nfs/dbraw/zinc/72/36/45/418723645.db2.gz WXXVVNGVEICSKM-KRWDZBQOSA-N 1 2 319.449 1.870 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000130608301 521639136 /nfs/dbraw/zinc/63/91/36/521639136.db2.gz LMPSIOUAACMNHU-UHFFFAOYSA-N 1 2 302.415 1.758 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000130608301 521639141 /nfs/dbraw/zinc/63/91/41/521639141.db2.gz LMPSIOUAACMNHU-UHFFFAOYSA-N 1 2 302.415 1.758 20 10 DDCDLO COc1cccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1O ZINC000364218696 526000943 /nfs/dbraw/zinc/00/09/43/526000943.db2.gz XDBCFGIFHWQPKC-LBPRGKRZSA-N 1 2 301.346 1.476 20 10 DDCDLO NC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975415 696390951 /nfs/dbraw/zinc/39/09/51/696390951.db2.gz UDFGBPNKWOBMNR-UHFFFAOYSA-N 1 2 303.318 1.182 20 10 DDCDLO NC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975415 696390952 /nfs/dbraw/zinc/39/09/52/696390952.db2.gz UDFGBPNKWOBMNR-UHFFFAOYSA-N 1 2 303.318 1.182 20 10 DDCDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000191467761 697607598 /nfs/dbraw/zinc/60/75/98/697607598.db2.gz SHTOTKBTFFSJPL-QMMMGPOBSA-N 1 2 319.340 1.906 20 10 DDCDLO CC(=O)NCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715786081 699276587 /nfs/dbraw/zinc/27/65/87/699276587.db2.gz POEIRJKEQYAOTA-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CC(=O)NCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715786081 699276589 /nfs/dbraw/zinc/27/65/89/699276589.db2.gz POEIRJKEQYAOTA-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000753997493 700474845 /nfs/dbraw/zinc/47/48/45/700474845.db2.gz DYLVHCUPXGKFPO-UHFFFAOYSA-N 1 2 303.410 1.587 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000753997493 700474848 /nfs/dbraw/zinc/47/48/48/700474848.db2.gz DYLVHCUPXGKFPO-UHFFFAOYSA-N 1 2 303.410 1.587 20 10 DDCDLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000810263456 701749227 /nfs/dbraw/zinc/74/92/27/701749227.db2.gz NNMLZOMNTCUJHQ-MRVPVSSYSA-N 1 2 308.350 1.212 20 10 DDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1c[nH+]cn1C ZINC000819761653 704168870 /nfs/dbraw/zinc/16/88/70/704168870.db2.gz YIAZHYRQZNYMQZ-UHFFFAOYSA-N 1 2 308.378 1.860 20 10 DDCDLO C[C@@]1(C(F)F)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853634871 704290632 /nfs/dbraw/zinc/29/06/32/704290632.db2.gz QVKCRJOTWBNCID-DOMZBBRYSA-N 1 2 315.316 1.674 20 10 DDCDLO C[C@@]1(C(F)F)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853634871 704290634 /nfs/dbraw/zinc/29/06/34/704290634.db2.gz QVKCRJOTWBNCID-DOMZBBRYSA-N 1 2 315.316 1.674 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000855227028 704474086 /nfs/dbraw/zinc/47/40/86/704474086.db2.gz STPUXHKYHAGLRN-GFCCVEGCSA-N 1 2 300.362 1.356 20 10 DDCDLO C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000875243766 705328562 /nfs/dbraw/zinc/32/85/62/705328562.db2.gz YZIMTRMHHROVKF-STQMWFEESA-N 1 2 319.405 1.527 20 10 DDCDLO CNC(=O)[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835047609 707162112 /nfs/dbraw/zinc/16/21/12/707162112.db2.gz JHBQGHARJMWJBQ-YIEVGGLXSA-N 1 2 303.406 1.213 20 10 DDCDLO CNC(=O)[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835047609 707162114 /nfs/dbraw/zinc/16/21/14/707162114.db2.gz JHBQGHARJMWJBQ-YIEVGGLXSA-N 1 2 303.406 1.213 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N3CCCC3=O)C2)cc1OC ZINC000897783636 708449239 /nfs/dbraw/zinc/44/92/39/708449239.db2.gz GPIRHGBMFMPXCD-UHFFFAOYSA-N 1 2 306.362 1.216 20 10 DDCDLO CCOCCOC1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893399640 710639180 /nfs/dbraw/zinc/63/91/80/710639180.db2.gz XRNYIYPTQJHYKD-UHFFFAOYSA-N 1 2 311.378 1.647 20 10 DDCDLO Oc1c(F)cc(F)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000893902718 710881020 /nfs/dbraw/zinc/88/10/20/710881020.db2.gz MSPKMJGMLBFVEJ-CQSZACIVSA-N 1 2 312.360 1.967 20 10 DDCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c1O ZINC000894682938 711237577 /nfs/dbraw/zinc/23/75/77/711237577.db2.gz GRQHPLMGAGAVQX-HNNXBMFYSA-N 1 2 305.374 1.889 20 10 DDCDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c1O ZINC000894682938 711237580 /nfs/dbraw/zinc/23/75/80/711237580.db2.gz GRQHPLMGAGAVQX-HNNXBMFYSA-N 1 2 305.374 1.889 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C)c(O)c1O ZINC000928644198 713248047 /nfs/dbraw/zinc/24/80/47/713248047.db2.gz PBHGVAIBYXRCDQ-GFCCVEGCSA-N 1 2 308.378 1.247 20 10 DDCDLO CCOC(=O)C[N@H+](CCO[C@@H]1CCOC1)Cc1ccccc1O ZINC000930763181 713914077 /nfs/dbraw/zinc/91/40/77/713914077.db2.gz HZZKKMJQMKCYIX-OAHLLOKOSA-N 1 2 323.389 1.563 20 10 DDCDLO CCOC(=O)C[N@@H+](CCO[C@@H]1CCOC1)Cc1ccccc1O ZINC000930763181 713914078 /nfs/dbraw/zinc/91/40/78/713914078.db2.gz HZZKKMJQMKCYIX-OAHLLOKOSA-N 1 2 323.389 1.563 20 10 DDCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001237935000 846714160 /nfs/dbraw/zinc/71/41/60/846714160.db2.gz ORLFOQYICVPGHL-NSHDSACASA-N 1 2 300.761 1.701 20 10 DDCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001237935000 846714163 /nfs/dbraw/zinc/71/41/63/846714163.db2.gz ORLFOQYICVPGHL-NSHDSACASA-N 1 2 300.761 1.701 20 10 DDCDLO Cc1c(CN2CC(N3CC[NH+](C)CC3)C2)c2ccccc2n1C ZINC001138259903 860047818 /nfs/dbraw/zinc/04/78/18/860047818.db2.gz QPFZROFUGFRYBT-UHFFFAOYSA-N 1 2 312.461 1.918 20 10 DDCDLO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140582949 860657792 /nfs/dbraw/zinc/65/77/92/860657792.db2.gz QSGPZMDBBSNWFJ-VFZGTOFNSA-N 1 2 313.300 1.292 20 10 DDCDLO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140582949 860657793 /nfs/dbraw/zinc/65/77/93/860657793.db2.gz QSGPZMDBBSNWFJ-VFZGTOFNSA-N 1 2 313.300 1.292 20 10 DDCDLO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001140661373 860669274 /nfs/dbraw/zinc/66/92/74/860669274.db2.gz CBONJNFUYQXAFS-UHFFFAOYSA-N 1 2 322.380 1.611 20 10 DDCDLO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCC2(C1)OCCO2 ZINC001140661373 860669278 /nfs/dbraw/zinc/66/92/78/860669278.db2.gz CBONJNFUYQXAFS-UHFFFAOYSA-N 1 2 322.380 1.611 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)cc1 ZINC001203934373 870842036 /nfs/dbraw/zinc/84/20/36/870842036.db2.gz SQSVCINHTFTLRB-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)cc1 ZINC001203934373 870842040 /nfs/dbraw/zinc/84/20/40/870842040.db2.gz SQSVCINHTFTLRB-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001277191748 882925064 /nfs/dbraw/zinc/92/50/64/882925064.db2.gz GQLRLCZUKCUIEH-UHFFFAOYSA-N 1 2 317.345 1.346 20 10 DDCDLO CN(C)C(=O)c1noc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001277191748 882925075 /nfs/dbraw/zinc/92/50/75/882925075.db2.gz GQLRLCZUKCUIEH-UHFFFAOYSA-N 1 2 317.345 1.346 20 10 DDCDLO Oc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)cc(O)c1O ZINC001233015585 886727984 /nfs/dbraw/zinc/72/79/84/886727984.db2.gz UFJJCGCOGVQXNK-UHFFFAOYSA-N 1 2 317.345 1.637 20 10 DDCDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482581 887014340 /nfs/dbraw/zinc/01/43/40/887014340.db2.gz TXDQCIDTPXPBDP-UHFFFAOYSA-N 1 2 324.377 1.856 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1Cl ZINC001236804409 889365240 /nfs/dbraw/zinc/36/52/40/889365240.db2.gz YUAWDSYGZHPJPM-QWRGUYRKSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1Cl ZINC001236804409 889365251 /nfs/dbraw/zinc/36/52/51/889365251.db2.gz YUAWDSYGZHPJPM-QWRGUYRKSA-N 1 2 301.770 1.229 20 10 DDCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)c(F)cc1O ZINC000294983766 282347241 /nfs/dbraw/zinc/34/72/41/282347241.db2.gz SSIOEUVDAACWNT-UHFFFAOYSA-N 1 2 316.760 1.475 20 10 DDCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)c(F)cc1O ZINC000294983766 282347242 /nfs/dbraw/zinc/34/72/42/282347242.db2.gz SSIOEUVDAACWNT-UHFFFAOYSA-N 1 2 316.760 1.475 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000155259170 408145862 /nfs/dbraw/zinc/14/58/62/408145862.db2.gz KMEGNRAMGVGYDC-UHFFFAOYSA-N 1 2 312.417 1.896 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2cccnc2)cc1 ZINC000155259170 408145868 /nfs/dbraw/zinc/14/58/68/408145868.db2.gz KMEGNRAMGVGYDC-UHFFFAOYSA-N 1 2 312.417 1.896 20 10 DDCDLO Cc1[nH+]c[nH]c1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000279535855 409234045 /nfs/dbraw/zinc/23/40/45/409234045.db2.gz WIJVNNLQOVFRFJ-UHFFFAOYSA-N 1 2 300.362 1.752 20 10 DDCDLO CCS(=O)(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000172394306 279995798 /nfs/dbraw/zinc/99/57/98/279995798.db2.gz CORWVYGHUXOMJW-UHFFFAOYSA-N 1 2 312.435 1.252 20 10 DDCDLO COC[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715787643 699277008 /nfs/dbraw/zinc/27/70/08/699277008.db2.gz FYIREMUBKVHIQW-VIFPVBQESA-N 1 2 308.147 1.391 20 10 DDCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccccc1O ZINC000748459622 700119343 /nfs/dbraw/zinc/11/93/43/700119343.db2.gz HJGRPEQLGGWVIA-UHFFFAOYSA-N 1 2 314.389 1.967 20 10 DDCDLO CCS(=O)(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000775204718 697971370 /nfs/dbraw/zinc/97/13/70/697971370.db2.gz DZYRWKDMTXALNW-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(F)cc(F)c1O ZINC000786946499 699181652 /nfs/dbraw/zinc/18/16/52/699181652.db2.gz AQMKODBAKDMMBB-MRVPVSSYSA-N 1 2 305.346 1.756 20 10 DDCDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000708156282 699248778 /nfs/dbraw/zinc/24/87/78/699248778.db2.gz HWCPMZMPRLDRPO-VHSXEESVSA-N 1 2 322.586 1.657 20 10 DDCDLO COc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c(O)c1 ZINC000794376404 699805491 /nfs/dbraw/zinc/80/54/91/699805491.db2.gz FBRLGWYLSWAYKS-UHFFFAOYSA-N 1 2 324.340 1.912 20 10 DDCDLO COc1ccc(N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000742246593 699870322 /nfs/dbraw/zinc/87/03/22/699870322.db2.gz OCDAYVDVRZXHKY-UHFFFAOYSA-N 1 2 314.389 1.631 20 10 DDCDLO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000802310433 700394758 /nfs/dbraw/zinc/39/47/58/700394758.db2.gz UFLNTTXDBPGHLZ-IONNQARKSA-N 1 2 322.174 1.952 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1O ZINC000763880979 700951448 /nfs/dbraw/zinc/95/14/48/700951448.db2.gz KRPRCYWFXWSOCW-HNNXBMFYSA-N 1 2 313.781 1.831 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1O ZINC000763880979 700951451 /nfs/dbraw/zinc/95/14/51/700951451.db2.gz KRPRCYWFXWSOCW-HNNXBMFYSA-N 1 2 313.781 1.831 20 10 DDCDLO COc1cccc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466629 701245945 /nfs/dbraw/zinc/24/59/45/701245945.db2.gz NZJYADOISRYLBA-AWEZNQCLSA-N 1 2 323.389 1.943 20 10 DDCDLO COc1cccc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466629 701245947 /nfs/dbraw/zinc/24/59/47/701245947.db2.gz NZJYADOISRYLBA-AWEZNQCLSA-N 1 2 323.389 1.943 20 10 DDCDLO Oc1c(Br)cccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769564300 701249011 /nfs/dbraw/zinc/24/90/11/701249011.db2.gz PGCIIAIIMRAKIN-AOOOYVTPSA-N 1 2 302.168 1.082 20 10 DDCDLO Oc1c(Br)cccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769564300 701249012 /nfs/dbraw/zinc/24/90/12/701249012.db2.gz PGCIIAIIMRAKIN-AOOOYVTPSA-N 1 2 302.168 1.082 20 10 DDCDLO O=C(Cc1[nH]cc[nH+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816921865 702220562 /nfs/dbraw/zinc/22/05/62/702220562.db2.gz JGBPIEVTTWTQMJ-CQSZACIVSA-N 1 2 315.373 1.866 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000858088632 704664565 /nfs/dbraw/zinc/66/45/65/704664565.db2.gz MIMWZZOCXONEON-UHFFFAOYSA-N 1 2 321.421 1.611 20 10 DDCDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000827488798 706012628 /nfs/dbraw/zinc/01/26/28/706012628.db2.gz LIHUKCHDCHBOBM-MRXNPFEDSA-N 1 2 323.345 1.275 20 10 DDCDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000827488798 706012631 /nfs/dbraw/zinc/01/26/31/706012631.db2.gz LIHUKCHDCHBOBM-MRXNPFEDSA-N 1 2 323.345 1.275 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877574802 706146686 /nfs/dbraw/zinc/14/66/86/706146686.db2.gz VZSHUCCJNYENGE-LLVKDONJSA-N 1 2 313.348 1.906 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877574802 706146691 /nfs/dbraw/zinc/14/66/91/706146691.db2.gz VZSHUCCJNYENGE-LLVKDONJSA-N 1 2 313.348 1.906 20 10 DDCDLO COc1ccc(N2CC[C@@H](CNc3nc(C)[nH+]c(N)n3)C2)cc1 ZINC000865888424 706553604 /nfs/dbraw/zinc/55/36/04/706553604.db2.gz NTMRGGLMKOSCTI-LBPRGKRZSA-N 1 2 314.393 1.709 20 10 DDCDLO CNC(=O)N1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026834 707157675 /nfs/dbraw/zinc/15/76/75/707157675.db2.gz XRKMPPHNVGYKCI-PLNGDYQASA-N 1 2 302.422 1.723 20 10 DDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc(O)cc1O ZINC000910942269 710125780 /nfs/dbraw/zinc/12/57/80/710125780.db2.gz ATNACGBOFVBWDY-UHFFFAOYSA-N 1 2 301.346 1.490 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895392059 711501300 /nfs/dbraw/zinc/50/13/00/711501300.db2.gz KMWRDBIAQQRKKA-CQSZACIVSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895392059 711501301 /nfs/dbraw/zinc/50/13/01/711501301.db2.gz KMWRDBIAQQRKKA-CQSZACIVSA-N 1 2 301.289 1.434 20 10 DDCDLO CN1CCN(C2C[NH+](Cc3cc(Cl)ccc3O)C2)CC1=O ZINC001203664017 744578955 /nfs/dbraw/zinc/57/89/55/744578955.db2.gz LLRBVZFBOLVJGN-UHFFFAOYSA-N 1 2 309.797 1.004 20 10 DDCDLO COc1ccc(N2CCN(c3cc(N(C)C)[nH+]cn3)CC2)cc1 ZINC000585415345 773682329 /nfs/dbraw/zinc/68/23/29/773682329.db2.gz PTGJEFRXVUOFBJ-UHFFFAOYSA-N 1 2 313.405 1.878 20 10 DDCDLO COc1ccc(N2CCN(c3cc(N(C)C)nc[nH+]3)CC2)cc1 ZINC000585415345 773682332 /nfs/dbraw/zinc/68/23/32/773682332.db2.gz PTGJEFRXVUOFBJ-UHFFFAOYSA-N 1 2 313.405 1.878 20 10 DDCDLO CC(C)=CCN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272618445 846415282 /nfs/dbraw/zinc/41/52/82/846415282.db2.gz IDBYGYPJPSAWMN-UHFFFAOYSA-N 1 2 316.401 1.772 20 10 DDCDLO CCCCN1C(=O)COCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001273265913 849267869 /nfs/dbraw/zinc/26/78/69/849267869.db2.gz MWVKYIGLNAKMLN-UHFFFAOYSA-N 1 2 322.380 1.745 20 10 DDCDLO CCCCN1C(=O)COCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001273303772 849371955 /nfs/dbraw/zinc/37/19/55/849371955.db2.gz GJIOUKDYVBLPNJ-UHFFFAOYSA-N 1 2 322.380 1.745 20 10 DDCDLO CCO[C@@H]1C[C@H]2CN(Cc3c(F)ccc(F)c3O)CC[N@@H+]2C1 ZINC001139681917 860451494 /nfs/dbraw/zinc/45/14/94/860451494.db2.gz HTDRHXXYJFIWGL-NWDGAFQWSA-N 1 2 312.360 1.965 20 10 DDCDLO CCO[C@@H]1C[C@H]2CN(Cc3c(F)ccc(F)c3O)CC[N@H+]2C1 ZINC001139681917 860451497 /nfs/dbraw/zinc/45/14/97/860451497.db2.gz HTDRHXXYJFIWGL-NWDGAFQWSA-N 1 2 312.360 1.965 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(C)c21 ZINC001140744348 860690439 /nfs/dbraw/zinc/69/04/39/860690439.db2.gz UOPRBJPKUAHJOJ-GFCCVEGCSA-N 1 2 318.377 1.281 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(C)c21 ZINC001140744348 860690442 /nfs/dbraw/zinc/69/04/42/860690442.db2.gz UOPRBJPKUAHJOJ-GFCCVEGCSA-N 1 2 318.377 1.281 20 10 DDCDLO Cc1c(O)ccc(C[NH+]2CCN(C(=O)C(F)(F)F)CC2)c1O ZINC001140744485 860690528 /nfs/dbraw/zinc/69/05/28/860690528.db2.gz ZBCJLQLLDXRQCI-UHFFFAOYSA-N 1 2 318.295 1.613 20 10 DDCDLO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000400140037 876492233 /nfs/dbraw/zinc/49/22/33/876492233.db2.gz KKOPWCVXYHHUBV-JTQLQIEISA-N 1 2 304.799 1.169 20 10 DDCDLO Oc1cc(O)c(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC001232260385 886191823 /nfs/dbraw/zinc/19/18/23/886191823.db2.gz OUODMQBQKYMCJF-LBPRGKRZSA-N 1 2 312.797 1.658 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N3CCOCC3)C2)cc1Cl ZINC001232264051 886195525 /nfs/dbraw/zinc/19/55/25/886195525.db2.gz DNICQXMKWGEMDB-UHFFFAOYSA-N 1 2 312.797 1.571 20 10 DDCDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015360 886728040 /nfs/dbraw/zinc/72/80/40/886728040.db2.gz LLSPTHHSQAPVFB-UHFFFAOYSA-N 1 2 322.405 1.884 20 10 DDCDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015360 886728047 /nfs/dbraw/zinc/72/80/47/886728047.db2.gz LLSPTHHSQAPVFB-UHFFFAOYSA-N 1 2 322.405 1.884 20 10 DDCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1)C1CC1 ZINC001233015955 886732150 /nfs/dbraw/zinc/73/21/50/886732150.db2.gz KOTICCUKQKLUKX-GFCCVEGCSA-N 1 2 306.362 1.294 20 10 DDCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1)C1CC1 ZINC001233015955 886732156 /nfs/dbraw/zinc/73/21/56/886732156.db2.gz KOTICCUKQKLUKX-GFCCVEGCSA-N 1 2 306.362 1.294 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336488 886930706 /nfs/dbraw/zinc/93/07/06/886930706.db2.gz NNCHMNHHTNYIIV-SNVBAGLBSA-N 1 2 313.348 1.906 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336488 886930716 /nfs/dbraw/zinc/93/07/16/886930716.db2.gz NNCHMNHHTNYIIV-SNVBAGLBSA-N 1 2 313.348 1.906 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052287 888370388 /nfs/dbraw/zinc/37/03/88/888370388.db2.gz OEINSKLXOZYPKG-CQSZACIVSA-N 1 2 316.232 1.836 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001290005374 913328165 /nfs/dbraw/zinc/32/81/65/913328165.db2.gz CKMFMTGGQQWMLD-GFCCVEGCSA-N 1 2 306.362 1.035 20 10 DDCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCN(C2COC2)CC1 ZINC001237122806 889512171 /nfs/dbraw/zinc/51/21/71/889512171.db2.gz YWZXNVMILMPKGH-UHFFFAOYSA-N 1 2 300.761 1.701 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccn(C)n3)CC2)cc1F ZINC000271244802 407594566 /nfs/dbraw/zinc/59/45/66/407594566.db2.gz GTWONTZQIVCXAB-UHFFFAOYSA-N 1 2 304.369 1.890 20 10 DDCDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000291306437 408863851 /nfs/dbraw/zinc/86/38/51/408863851.db2.gz SOZJAUFBRDWCQJ-CQSZACIVSA-N 1 2 311.353 1.971 20 10 DDCDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000291306437 408863855 /nfs/dbraw/zinc/86/38/55/408863855.db2.gz SOZJAUFBRDWCQJ-CQSZACIVSA-N 1 2 311.353 1.971 20 10 DDCDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000279134269 409155914 /nfs/dbraw/zinc/15/59/14/409155914.db2.gz FJHGGAZONDQWLF-UHFFFAOYSA-N 1 2 314.389 1.495 20 10 DDCDLO COCCN1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000191696048 222107226 /nfs/dbraw/zinc/10/72/26/222107226.db2.gz VMRNENDOHQLGNI-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO COCCN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000191696048 222107230 /nfs/dbraw/zinc/10/72/30/222107230.db2.gz VMRNENDOHQLGNI-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC(=O)OC)c1 ZINC000377870972 418715578 /nfs/dbraw/zinc/71/55/78/418715578.db2.gz XJYSMLCMAZGIKR-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC(=O)OC)c1 ZINC000377870972 418715581 /nfs/dbraw/zinc/71/55/81/418715581.db2.gz XJYSMLCMAZGIKR-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000371403508 418788983 /nfs/dbraw/zinc/78/89/83/418788983.db2.gz SPIHSNRHJRJJGI-HUUCEWRRSA-N 1 2 323.389 1.943 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000371403508 418788985 /nfs/dbraw/zinc/78/89/85/418788985.db2.gz SPIHSNRHJRJJGI-HUUCEWRRSA-N 1 2 323.389 1.943 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]1(C)CO ZINC000529668997 421550945 /nfs/dbraw/zinc/55/09/45/421550945.db2.gz QYFHDXMIIHTNRF-GASCZTMLSA-N 1 2 317.788 1.998 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]1(C)CO ZINC000529668997 421550949 /nfs/dbraw/zinc/55/09/49/421550949.db2.gz QYFHDXMIIHTNRF-GASCZTMLSA-N 1 2 317.788 1.998 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1OC ZINC000271101903 295004163 /nfs/dbraw/zinc/00/41/63/295004163.db2.gz PUGCFNOQIBHFHB-BJFPOWJFSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1OC ZINC000271101903 295004165 /nfs/dbraw/zinc/00/41/65/295004165.db2.gz PUGCFNOQIBHFHB-BJFPOWJFSA-N 1 2 313.419 1.751 20 10 DDCDLO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(F)cc1O ZINC000796967732 699988667 /nfs/dbraw/zinc/98/86/67/699988667.db2.gz ZDKMCDQBTWSEEN-LBPRGKRZSA-N 1 2 306.341 1.894 20 10 DDCDLO CCNC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774819715 697931288 /nfs/dbraw/zinc/93/12/88/697931288.db2.gz PYISEIDOQUIONJ-UHFFFAOYSA-N 1 2 311.338 1.267 20 10 DDCDLO CCNC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774819715 697931293 /nfs/dbraw/zinc/93/12/93/697931293.db2.gz PYISEIDOQUIONJ-UHFFFAOYSA-N 1 2 311.338 1.267 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2cc(C(N)=O)co2)ccc1[N+](=O)[O-] ZINC000775088750 697961640 /nfs/dbraw/zinc/96/16/40/697961640.db2.gz LJJCHLATZGFSNH-UHFFFAOYSA-N 1 2 321.289 1.291 20 10 DDCDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C1CCOCC1 ZINC000776229896 698085155 /nfs/dbraw/zinc/08/51/55/698085155.db2.gz FOPVFSFGKWZSTO-AWEZNQCLSA-N 1 2 324.808 1.915 20 10 DDCDLO COc1ccc(O)c(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000779577136 698438286 /nfs/dbraw/zinc/43/82/86/698438286.db2.gz WVCJUCMMXCIAOG-GFCCVEGCSA-N 1 2 316.361 1.412 20 10 DDCDLO Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c(O)c1O ZINC000780928226 698572345 /nfs/dbraw/zinc/57/23/45/698572345.db2.gz SYPIMFSNXOFSHF-UHFFFAOYSA-N 1 2 300.314 1.705 20 10 DDCDLO O=C(C1=CC(=O)CS1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800701431 700240359 /nfs/dbraw/zinc/24/03/59/700240359.db2.gz MQFGWUKPOJTHAT-LBPRGKRZSA-N 1 2 310.419 1.638 20 10 DDCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768446184 701177275 /nfs/dbraw/zinc/17/72/75/701177275.db2.gz KPWRKALHUYIYLP-CYBMUJFWSA-N 1 2 309.362 1.592 20 10 DDCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768446184 701177279 /nfs/dbraw/zinc/17/72/79/701177279.db2.gz KPWRKALHUYIYLP-CYBMUJFWSA-N 1 2 309.362 1.592 20 10 DDCDLO CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(Cl)c1O ZINC000806150378 701428214 /nfs/dbraw/zinc/42/82/14/701428214.db2.gz REESNNKAJBKRQK-CYBMUJFWSA-N 1 2 312.797 1.945 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815053182 701788962 /nfs/dbraw/zinc/78/89/62/701788962.db2.gz MSICVTDLAGIATK-MRXNPFEDSA-N 1 2 306.406 1.825 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815053182 701788966 /nfs/dbraw/zinc/78/89/66/701788966.db2.gz MSICVTDLAGIATK-MRXNPFEDSA-N 1 2 306.406 1.825 20 10 DDCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1 ZINC000846845535 703341256 /nfs/dbraw/zinc/34/12/56/703341256.db2.gz YAUAIBZYNYQESO-JTQLQIEISA-N 1 2 305.382 1.993 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(O)c1O ZINC000855411756 704483807 /nfs/dbraw/zinc/48/38/07/704483807.db2.gz QKTJWDGVQZUSPF-NEPJUHHUSA-N 1 2 308.378 1.245 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(O)c1O ZINC000855411756 704483808 /nfs/dbraw/zinc/48/38/08/704483808.db2.gz QKTJWDGVQZUSPF-NEPJUHHUSA-N 1 2 308.378 1.245 20 10 DDCDLO Cc1cc(C[NH+]2CCN([S@](C)(=N)=O)CC2)ccc1N(C)C ZINC000879948778 706830385 /nfs/dbraw/zinc/83/03/85/706830385.db2.gz NHXBSYRYDXRHSS-NRFANRHFSA-N 1 2 310.467 1.770 20 10 DDCDLO C[C@@H](O)C(=O)N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028024 707158318 /nfs/dbraw/zinc/15/83/18/707158318.db2.gz IHDHCSQGNPIJOU-MBVDDHJVSA-N 1 2 317.433 1.291 20 10 DDCDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000877651209 706170642 /nfs/dbraw/zinc/17/06/42/706170642.db2.gz SKUREYGRDVUCDW-UHFFFAOYSA-N 1 2 310.419 1.310 20 10 DDCDLO C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccccc1O ZINC000877757162 706199850 /nfs/dbraw/zinc/19/98/50/706199850.db2.gz KJZCHJBULZPYJP-NSHDSACASA-N 1 2 324.406 1.094 20 10 DDCDLO CNC(=O)[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835047606 707162063 /nfs/dbraw/zinc/16/20/63/707162063.db2.gz JHBQGHARJMWJBQ-DWTRPJMMSA-N 1 2 303.406 1.213 20 10 DDCDLO CNC(=O)[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835047606 707162067 /nfs/dbraw/zinc/16/20/67/707162067.db2.gz JHBQGHARJMWJBQ-DWTRPJMMSA-N 1 2 303.406 1.213 20 10 DDCDLO CCn1cnc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000902551826 710792058 /nfs/dbraw/zinc/79/20/58/710792058.db2.gz WWLYWRZGXYSYPI-INIZCTEOSA-N 1 2 315.373 1.593 20 10 DDCDLO CCn1cnc2c1CC[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000902551826 710792061 /nfs/dbraw/zinc/79/20/61/710792061.db2.gz WWLYWRZGXYSYPI-INIZCTEOSA-N 1 2 315.373 1.593 20 10 DDCDLO CCn1c[nH+]c2c1CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000902551826 710792066 /nfs/dbraw/zinc/79/20/66/710792066.db2.gz WWLYWRZGXYSYPI-INIZCTEOSA-N 1 2 315.373 1.593 20 10 DDCDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000895026677 711375088 /nfs/dbraw/zinc/37/50/88/711375088.db2.gz YSSZSRVYRZWESR-QWRGUYRKSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000895026677 711375089 /nfs/dbraw/zinc/37/50/89/711375089.db2.gz YSSZSRVYRZWESR-QWRGUYRKSA-N 1 2 300.349 1.557 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CC(C3CS(=O)(=O)C3)C2)cc1Cl ZINC000895423750 711509170 /nfs/dbraw/zinc/50/91/70/711509170.db2.gz CSSWQHQJTPPZCY-UHFFFAOYSA-N 1 2 315.822 1.830 20 10 DDCDLO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001269919180 842153921 /nfs/dbraw/zinc/15/39/21/842153921.db2.gz KBIBDKRPTTXNQC-MRXNPFEDSA-N 1 2 305.378 1.441 20 10 DDCDLO C[N@H+]1CCC[C@@]2(CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001269919180 842153925 /nfs/dbraw/zinc/15/39/25/842153925.db2.gz KBIBDKRPTTXNQC-MRXNPFEDSA-N 1 2 305.378 1.441 20 10 DDCDLO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1O ZINC001275909194 853929274 /nfs/dbraw/zinc/92/92/74/853929274.db2.gz SRBZUOJJHGMNKX-GJZGRUSLSA-N 1 2 321.396 1.268 20 10 DDCDLO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1O ZINC001275909194 853929279 /nfs/dbraw/zinc/92/92/79/853929279.db2.gz SRBZUOJJHGMNKX-GJZGRUSLSA-N 1 2 321.396 1.268 20 10 DDCDLO CC[N@H+](CCC(N)=O)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129164 860297877 /nfs/dbraw/zinc/29/78/77/860297877.db2.gz OWPOLBJWNTVDMJ-UHFFFAOYSA-N 1 2 304.346 1.504 20 10 DDCDLO CC[N@@H+](CCC(N)=O)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129164 860297888 /nfs/dbraw/zinc/29/78/88/860297888.db2.gz OWPOLBJWNTVDMJ-UHFFFAOYSA-N 1 2 304.346 1.504 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccnnc3)CC2)c(OC)c1 ZINC001139986471 860535624 /nfs/dbraw/zinc/53/56/24/860535624.db2.gz LLYZXQFHWNKGTG-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO CCCNC(=O)C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001324677372 867449282 /nfs/dbraw/zinc/44/92/82/867449282.db2.gz VBYKKCGQUPGCPN-UHFFFAOYSA-N 1 2 305.422 1.734 20 10 DDCDLO C[N@@H+]1CCN(Cc2cccc(F)c2O)C[C@]2(CCCC(=O)N2)C1 ZINC001276537711 873341188 /nfs/dbraw/zinc/34/11/88/873341188.db2.gz LNOXUKBJXPGWSZ-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO C[N@H+]1CCN(Cc2cccc(F)c2O)C[C@]2(CCCC(=O)N2)C1 ZINC001276537711 873341198 /nfs/dbraw/zinc/34/11/98/873341198.db2.gz LNOXUKBJXPGWSZ-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@H+](Cc2cccc(F)c2O)C[C@]2(CCCC(=O)N2)C1 ZINC001276537711 873341208 /nfs/dbraw/zinc/34/12/08/873341208.db2.gz LNOXUKBJXPGWSZ-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@@H+](Cc2cccc(F)c2O)C[C@]2(CCCC(=O)N2)C1 ZINC001276537711 873341217 /nfs/dbraw/zinc/34/12/17/873341217.db2.gz LNOXUKBJXPGWSZ-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO NS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC001207621214 873421877 /nfs/dbraw/zinc/42/18/77/873421877.db2.gz CBEZDMPPJCBPIP-UHFFFAOYSA-N 1 2 316.379 1.530 20 10 DDCDLO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CN(C)CC[N@@H+]1C ZINC001351788642 876432515 /nfs/dbraw/zinc/43/25/15/876432515.db2.gz YMRDPQMNDYZKPP-UKRRQHHQSA-N 1 2 320.437 1.168 20 10 DDCDLO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CN(C)CC[N@H+]1C ZINC001351788642 876432519 /nfs/dbraw/zinc/43/25/19/876432519.db2.gz YMRDPQMNDYZKPP-UKRRQHHQSA-N 1 2 320.437 1.168 20 10 DDCDLO COC(=O)[C@H](C1CC1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000316100244 879276253 /nfs/dbraw/zinc/27/62/53/879276253.db2.gz PQMJWYLHJBJNFO-INIZCTEOSA-N 1 2 304.390 1.769 20 10 DDCDLO Oc1cc(F)c(F)cc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222681277 880646323 /nfs/dbraw/zinc/64/63/23/880646323.db2.gz PRQGGMJZBAORPQ-INIZCTEOSA-N 1 2 311.376 1.588 20 10 DDCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001231913230 885941431 /nfs/dbraw/zinc/94/14/31/885941431.db2.gz ISXZVGSKDCZPAQ-UHFFFAOYSA-N 1 2 305.769 1.553 20 10 DDCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912780 885942043 /nfs/dbraw/zinc/94/20/43/885942043.db2.gz ZLBISDMVOHLPKP-UHFFFAOYSA-N 1 2 307.737 1.805 20 10 DDCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912780 885942054 /nfs/dbraw/zinc/94/20/54/885942054.db2.gz ZLBISDMVOHLPKP-UHFFFAOYSA-N 1 2 307.737 1.805 20 10 DDCDLO Oc1cc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)cc(O)c1O ZINC001233016249 886730604 /nfs/dbraw/zinc/73/06/04/886730604.db2.gz QGYSSKNKXUVXJX-NSHDSACASA-N 1 2 321.308 1.386 20 10 DDCDLO Oc1cc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)cc(O)c1O ZINC001233016249 886730611 /nfs/dbraw/zinc/73/06/11/886730611.db2.gz QGYSSKNKXUVXJX-NSHDSACASA-N 1 2 321.308 1.386 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CC(N3CCC(F)(F)CC3)C2)cc1O ZINC001233485912 887017580 /nfs/dbraw/zinc/01/75/80/887017580.db2.gz PXGRNSKMSOLQNS-UHFFFAOYSA-N 1 2 314.332 1.719 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCc3ncncc3C2)cc1OC ZINC001236755442 889335515 /nfs/dbraw/zinc/33/55/15/889335515.db2.gz DCZYKPRAQSKAHE-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCc3ncncc3C2)cc1OC ZINC001236755442 889335527 /nfs/dbraw/zinc/33/55/27/889335527.db2.gz DCZYKPRAQSKAHE-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1ccc(CN2CC[NH+](CCCO)CC2)c(O)c1Cl ZINC001236801691 889365282 /nfs/dbraw/zinc/36/52/82/889365282.db2.gz LTQAZJGBRQREGQ-UHFFFAOYSA-N 1 2 314.813 1.554 20 10 DDCDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)c(Cl)c3O)C[C@@H]21 ZINC001236805959 889366057 /nfs/dbraw/zinc/36/60/57/889366057.db2.gz IADGLSZCJGMSHB-IAZYJMLFSA-N 1 2 311.765 1.905 20 10 DDCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OC)c(Cl)c3O)C[C@@H]21 ZINC001236805959 889366069 /nfs/dbraw/zinc/36/60/69/889366069.db2.gz IADGLSZCJGMSHB-IAZYJMLFSA-N 1 2 311.765 1.905 20 10 DDCDLO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270988262 285100805 /nfs/dbraw/zinc/10/08/05/285100805.db2.gz GMSFAWVSMDWEPR-ZDUSSCGKSA-N 1 2 314.426 1.901 20 10 DDCDLO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270988262 285100806 /nfs/dbraw/zinc/10/08/06/285100806.db2.gz GMSFAWVSMDWEPR-ZDUSSCGKSA-N 1 2 314.426 1.901 20 10 DDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000271767447 407732780 /nfs/dbraw/zinc/73/27/80/407732780.db2.gz FTDRPKGNKJLVNA-UHFFFAOYSA-N 1 2 313.350 1.031 20 10 DDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000271767447 407732785 /nfs/dbraw/zinc/73/27/85/407732785.db2.gz FTDRPKGNKJLVNA-UHFFFAOYSA-N 1 2 313.350 1.031 20 10 DDCDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133645607 407865238 /nfs/dbraw/zinc/86/52/38/407865238.db2.gz JQMBDWZXAQDQMU-AWEZNQCLSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133645607 407865246 /nfs/dbraw/zinc/86/52/46/407865246.db2.gz JQMBDWZXAQDQMU-AWEZNQCLSA-N 1 2 306.406 1.907 20 10 DDCDLO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293511428 409128472 /nfs/dbraw/zinc/12/84/72/409128472.db2.gz CEYCCMUSQIYRGU-NSHDSACASA-N 1 2 301.793 1.520 20 10 DDCDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(N(C)C)c(F)c3)C2)nn1 ZINC000359991926 410990150 /nfs/dbraw/zinc/99/01/50/410990150.db2.gz GDUPHCNFJBTXPN-LLVKDONJSA-N 1 2 319.384 1.593 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)c1 ZINC000362375171 418753002 /nfs/dbraw/zinc/75/30/02/418753002.db2.gz BLLFDRHYMNMPLV-KBPBESRZSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)c1 ZINC000362375171 418753003 /nfs/dbraw/zinc/75/30/03/418753003.db2.gz BLLFDRHYMNMPLV-KBPBESRZSA-N 1 2 309.362 1.553 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179884861 526474062 /nfs/dbraw/zinc/47/40/62/526474062.db2.gz VVORAPUPAADJPP-HNNXBMFYSA-N 1 2 308.353 1.355 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000278307418 536862658 /nfs/dbraw/zinc/86/26/58/536862658.db2.gz WNCABCKUHMFFGO-NSHDSACASA-N 1 2 309.322 1.149 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000278307418 536862665 /nfs/dbraw/zinc/86/26/65/536862665.db2.gz WNCABCKUHMFFGO-NSHDSACASA-N 1 2 309.322 1.149 20 10 DDCDLO COCCN1CC[N@H+](Cc2cc3c(cc2O)CCC3)CC1=O ZINC000160841601 697320348 /nfs/dbraw/zinc/32/03/48/697320348.db2.gz JAHBEFADLRINDF-UHFFFAOYSA-N 1 2 304.390 1.172 20 10 DDCDLO COCCN1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1=O ZINC000160841601 697320350 /nfs/dbraw/zinc/32/03/50/697320350.db2.gz JAHBEFADLRINDF-UHFFFAOYSA-N 1 2 304.390 1.172 20 10 DDCDLO O=C(/C=C\c1ccc(O)c(O)c1)NCCCCn1cc[nH+]c1 ZINC000779521638 698430680 /nfs/dbraw/zinc/43/06/80/698430680.db2.gz NHLVILPSGMQUHT-XQRVVYSFSA-N 1 2 301.346 1.904 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CC(n2cc([C@H](C)O)nn2)C1 ZINC000779613176 698442402 /nfs/dbraw/zinc/44/24/02/698442402.db2.gz HSGRNJNNTXVMSI-JTQLQIEISA-N 1 2 304.350 1.103 20 10 DDCDLO COc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)c(O)c1 ZINC000795284178 699855783 /nfs/dbraw/zinc/85/57/83/699855783.db2.gz JGFFDRNWKCGRGB-UHFFFAOYSA-N 1 2 316.361 1.640 20 10 DDCDLO COc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)c(O)c1 ZINC000795284178 699855785 /nfs/dbraw/zinc/85/57/85/699855785.db2.gz JGFFDRNWKCGRGB-UHFFFAOYSA-N 1 2 316.361 1.640 20 10 DDCDLO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756371824 700617958 /nfs/dbraw/zinc/61/79/58/700617958.db2.gz NPQRBYGVBVPGSZ-MRVPVSSYSA-N 1 2 308.350 1.260 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000768182182 701162214 /nfs/dbraw/zinc/16/22/14/701162214.db2.gz WDJWHFCNRNGOPB-MRXNPFEDSA-N 1 2 320.389 1.224 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841960081 702636198 /nfs/dbraw/zinc/63/61/98/702636198.db2.gz UOXILDPJWAYVPV-AWEZNQCLSA-N 1 2 320.437 1.173 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434525 702881664 /nfs/dbraw/zinc/88/16/64/702881664.db2.gz ZHLVVKGKUAPFEU-VHSXEESVSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434525 702881667 /nfs/dbraw/zinc/88/16/67/702881667.db2.gz ZHLVVKGKUAPFEU-VHSXEESVSA-N 1 2 317.744 1.541 20 10 DDCDLO CCc1cccc(C[N@@H+]2CCc3c(nnn3CCOC)C2)c1O ZINC000848914850 703602936 /nfs/dbraw/zinc/60/29/36/703602936.db2.gz ULIWRKWGGZDQLB-UHFFFAOYSA-N 1 2 316.405 1.751 20 10 DDCDLO CCc1cccc(C[N@H+]2CCc3c(nnn3CCOC)C2)c1O ZINC000848914850 703602937 /nfs/dbraw/zinc/60/29/37/703602937.db2.gz ULIWRKWGGZDQLB-UHFFFAOYSA-N 1 2 316.405 1.751 20 10 DDCDLO CN1CCN(c2cc[nH+]c(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000870665574 704098808 /nfs/dbraw/zinc/09/88/08/704098808.db2.gz ZNQYMQFHHBKLOQ-UHFFFAOYSA-N 1 2 318.402 1.853 20 10 DDCDLO C[NH+]1CCN(c2ccnc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000870665574 704098812 /nfs/dbraw/zinc/09/88/12/704098812.db2.gz ZNQYMQFHHBKLOQ-UHFFFAOYSA-N 1 2 318.402 1.853 20 10 DDCDLO COc1ccc(N2CC[C@@H](Nc3nc[nH+]c(N)c3OC)C2)cc1 ZINC000853759917 704311926 /nfs/dbraw/zinc/31/19/26/704311926.db2.gz DQTPSZRZKIABRI-LLVKDONJSA-N 1 2 315.377 1.767 20 10 DDCDLO COc1ccc(N2CC[C@@H](Nc3[nH+]cnc(N)c3OC)C2)cc1 ZINC000853759917 704311929 /nfs/dbraw/zinc/31/19/29/704311929.db2.gz DQTPSZRZKIABRI-LLVKDONJSA-N 1 2 315.377 1.767 20 10 DDCDLO O=C(Cn1cc[nH+]c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211688 704518567 /nfs/dbraw/zinc/51/85/67/704518567.db2.gz ZEGKOZFOUZBAJC-UHFFFAOYSA-N 1 2 314.389 1.161 20 10 DDCDLO C[C@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@@H+]1CC(C)(C)O ZINC000877461079 706113270 /nfs/dbraw/zinc/11/32/70/706113270.db2.gz YINFZLQIZKBQEW-NSHDSACASA-N 1 2 314.376 1.947 20 10 DDCDLO C[C@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@H+]1CC(C)(C)O ZINC000877461079 706113271 /nfs/dbraw/zinc/11/32/71/706113271.db2.gz YINFZLQIZKBQEW-NSHDSACASA-N 1 2 314.376 1.947 20 10 DDCDLO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)C[N@@H+]1CCO ZINC000895026676 711374737 /nfs/dbraw/zinc/37/47/37/711374737.db2.gz YSSZSRVYRZWESR-MNOVXSKESA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)C[N@H+]1CCO ZINC000895026676 711374745 /nfs/dbraw/zinc/37/47/45/711374745.db2.gz YSSZSRVYRZWESR-MNOVXSKESA-N 1 2 300.349 1.557 20 10 DDCDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895332378 711487640 /nfs/dbraw/zinc/48/76/40/711487640.db2.gz KDUCBMNYIQECLG-GFCCVEGCSA-N 1 2 313.348 1.858 20 10 DDCDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895332378 711487641 /nfs/dbraw/zinc/48/76/41/711487641.db2.gz KDUCBMNYIQECLG-GFCCVEGCSA-N 1 2 313.348 1.858 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CC(C3CS(=O)(=O)C3)C2)c1 ZINC000895428407 711510513 /nfs/dbraw/zinc/51/05/13/711510513.db2.gz RTKYIRQZIVTQTB-UHFFFAOYSA-N 1 2 311.403 1.267 20 10 DDCDLO CN(CC[NH2+]Cc1cc(Cl)cc(F)c1O)CCOCCO ZINC000895665611 711573033 /nfs/dbraw/zinc/57/30/33/711573033.db2.gz NEDUPCIJNLBDRY-UHFFFAOYSA-N 1 2 320.792 1.215 20 10 DDCDLO Oc1cc(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001144509468 772557245 /nfs/dbraw/zinc/55/72/45/772557245.db2.gz XDFHRZKGQIEWMU-ZDUSSCGKSA-N 1 2 308.378 1.100 20 10 DDCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001273304014 849374089 /nfs/dbraw/zinc/37/40/89/849374089.db2.gz QLVNFIPVIVUBFI-LBPRGKRZSA-N 1 2 322.380 1.743 20 10 DDCDLO CN(CCCNC(=O)c1cccc(O)c1O)c1cccc[nH+]1 ZINC001153119593 863722482 /nfs/dbraw/zinc/72/24/82/863722482.db2.gz MPCDSTBKVSIVGZ-UHFFFAOYSA-N 1 2 301.346 1.749 20 10 DDCDLO CCn1nnc2c1CC[N@H+](Cc1ccccc1O)[C@H]2COC ZINC001203551659 870636167 /nfs/dbraw/zinc/63/61/67/870636167.db2.gz JQZLTLYXEMJBLM-AWEZNQCLSA-N 1 2 302.378 1.749 20 10 DDCDLO CCn1nnc2c1CC[N@@H+](Cc1ccccc1O)[C@H]2COC ZINC001203551659 870636179 /nfs/dbraw/zinc/63/61/79/870636179.db2.gz JQZLTLYXEMJBLM-AWEZNQCLSA-N 1 2 302.378 1.749 20 10 DDCDLO CCOc1ccc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC001343725471 872734443 /nfs/dbraw/zinc/73/44/43/872734443.db2.gz NARPQHWEVIFUJM-UHFFFAOYSA-N 1 2 314.389 1.631 20 10 DDCDLO CN(C)C(=O)c1n[nH]c2c1CC[N@H+](Cc1ccccc1O)C2 ZINC001277440769 884290367 /nfs/dbraw/zinc/29/03/67/884290367.db2.gz DOEMASVSVVZZPZ-UHFFFAOYSA-N 1 2 300.362 1.375 20 10 DDCDLO CN(C)C(=O)c1n[nH]c2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC001277440769 884290384 /nfs/dbraw/zinc/29/03/84/884290384.db2.gz DOEMASVSVVZZPZ-UHFFFAOYSA-N 1 2 300.362 1.375 20 10 DDCDLO COc1cc(C[NH+]2CC(N3CCC(F)(F)C3)C2)c(O)cc1O ZINC001231637916 885776109 /nfs/dbraw/zinc/77/61/09/885776109.db2.gz UIMJIVMWBCHELB-UHFFFAOYSA-N 1 2 314.332 1.632 20 10 DDCDLO O=C1COCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)N1 ZINC001231910974 885940979 /nfs/dbraw/zinc/94/09/79/885940979.db2.gz XLTJWXUIKHPGQH-UHFFFAOYSA-N 1 2 310.781 1.527 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(Br)c1O)C[C@@H](O)CO ZINC001235294038 888533097 /nfs/dbraw/zinc/53/30/97/888533097.db2.gz LTZZJOOHGWCJFI-SECBINFHSA-N 1 2 308.147 1.079 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(Br)c1O)C[C@@H](O)CO ZINC001235294038 888533100 /nfs/dbraw/zinc/53/31/00/888533100.db2.gz LTZZJOOHGWCJFI-SECBINFHSA-N 1 2 308.147 1.079 20 10 DDCDLO COc1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1Cl ZINC001236800982 889359013 /nfs/dbraw/zinc/35/90/13/889359013.db2.gz AXQATPWHWUONJD-UHFFFAOYSA-N 1 2 308.769 1.704 20 10 DDCDLO COc1ccc(C[N@@H+]2CCc3nncn3CC2)c(O)c1Cl ZINC001236800982 889359024 /nfs/dbraw/zinc/35/90/24/889359024.db2.gz AXQATPWHWUONJD-UHFFFAOYSA-N 1 2 308.769 1.704 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623934 889766251 /nfs/dbraw/zinc/76/62/51/889766251.db2.gz NEFVZRZYIYLEMN-NSHDSACASA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623934 889766258 /nfs/dbraw/zinc/76/62/58/889766258.db2.gz NEFVZRZYIYLEMN-NSHDSACASA-N 1 2 317.744 1.949 20 10 DDCDLO O=C(NCCn1cc[nH+]c1)NCc1c(O)ccc2c1CCCC2 ZINC000080612782 192172553 /nfs/dbraw/zinc/17/25/53/192172553.db2.gz OGACEIKPURHMDB-UHFFFAOYSA-N 1 2 314.389 1.967 20 10 DDCDLO COc1cccc(CNc2[nH+]cnc(-n3cccn3)c2N)c1O ZINC000091479285 353827564 /nfs/dbraw/zinc/82/75/64/353827564.db2.gz QNWIHJAFUMUATI-UHFFFAOYSA-N 1 2 312.333 1.571 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@@H](C(=O)OC)C1 ZINC000272520394 284062195 /nfs/dbraw/zinc/06/21/95/284062195.db2.gz KYFDHDZTLVPPCW-TZMCWYRMSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)[C@@H](C(=O)OC)C1 ZINC000272520394 284062197 /nfs/dbraw/zinc/06/21/97/284062197.db2.gz KYFDHDZTLVPPCW-TZMCWYRMSA-N 1 2 321.373 1.627 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286785167 131250168 /nfs/dbraw/zinc/25/01/68/131250168.db2.gz HQYVXTPXJNFICV-QGZVFWFLSA-N 1 2 323.412 1.165 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286785167 131250171 /nfs/dbraw/zinc/25/01/71/131250171.db2.gz HQYVXTPXJNFICV-QGZVFWFLSA-N 1 2 323.412 1.165 20 10 DDCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090970194 407173015 /nfs/dbraw/zinc/17/30/15/407173015.db2.gz OZEYEHODWANGIJ-LBPRGKRZSA-N 1 2 319.384 1.642 20 10 DDCDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278138243 409071154 /nfs/dbraw/zinc/07/11/54/409071154.db2.gz AMHHHLUVEUKARS-LBPRGKRZSA-N 1 2 323.349 1.410 20 10 DDCDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278138243 409071157 /nfs/dbraw/zinc/07/11/57/409071157.db2.gz AMHHHLUVEUKARS-LBPRGKRZSA-N 1 2 323.349 1.410 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278209955 409077419 /nfs/dbraw/zinc/07/74/19/409077419.db2.gz KEFYYJQDIDQXPW-GFCCVEGCSA-N 1 2 323.349 1.362 20 10 DDCDLO COC(=O)COc1ccc([N@H+](C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000294982933 409307095 /nfs/dbraw/zinc/30/70/95/409307095.db2.gz MDARRIAYGNHYSX-ZDUSSCGKSA-N 1 2 320.389 1.591 20 10 DDCDLO COC(=O)COc1ccc([N@@H+](C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000294982933 409307098 /nfs/dbraw/zinc/30/70/98/409307098.db2.gz MDARRIAYGNHYSX-ZDUSSCGKSA-N 1 2 320.389 1.591 20 10 DDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000296645268 409628099 /nfs/dbraw/zinc/62/80/99/409628099.db2.gz YKZHBLYYEKTZQV-BDAKNGLRSA-N 1 2 322.377 1.649 20 10 DDCDLO COC(=O)[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](C)O ZINC000372772117 418900452 /nfs/dbraw/zinc/90/04/52/418900452.db2.gz JDKUEYVJSDRCCW-LRDDRELGSA-N 1 2 322.405 1.176 20 10 DDCDLO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000273456636 279521773 /nfs/dbraw/zinc/52/17/73/279521773.db2.gz HDWHBFJRABDPQQ-GXFFZTMASA-N 1 2 307.350 1.960 20 10 DDCDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160522986 521199036 /nfs/dbraw/zinc/19/90/36/521199036.db2.gz WDMMGKVTNMFNDC-LBPRGKRZSA-N 1 2 308.378 1.510 20 10 DDCDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160522986 521199043 /nfs/dbraw/zinc/19/90/43/521199043.db2.gz WDMMGKVTNMFNDC-LBPRGKRZSA-N 1 2 308.378 1.510 20 10 DDCDLO COC(=O)COc1ccc([N@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000273116573 536478321 /nfs/dbraw/zinc/47/83/21/536478321.db2.gz QZJCCGJZVJCLCS-GFCCVEGCSA-N 1 2 307.346 1.628 20 10 DDCDLO COC(=O)COc1ccc([N@@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000273116573 536478323 /nfs/dbraw/zinc/47/83/23/536478323.db2.gz QZJCCGJZVJCLCS-GFCCVEGCSA-N 1 2 307.346 1.628 20 10 DDCDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000191467774 697607687 /nfs/dbraw/zinc/60/76/87/697607687.db2.gz SHTOTKBTFFSJPL-MRVPVSSYSA-N 1 2 319.340 1.906 20 10 DDCDLO C[C@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775676067 698021748 /nfs/dbraw/zinc/02/17/48/698021748.db2.gz KFWNKMKFHHUODS-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777666306 698214435 /nfs/dbraw/zinc/21/44/35/698214435.db2.gz FMBUUFXFZMCDKV-AWEZNQCLSA-N 1 2 313.405 1.763 20 10 DDCDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000276403745 698533789 /nfs/dbraw/zinc/53/37/89/698533789.db2.gz HSKPTEZNNWRHGR-UHFFFAOYSA-N 1 2 314.389 1.495 20 10 DDCDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(N2CCOCC2)cc1 ZINC000276403745 698533792 /nfs/dbraw/zinc/53/37/92/698533792.db2.gz HSKPTEZNNWRHGR-UHFFFAOYSA-N 1 2 314.389 1.495 20 10 DDCDLO Cc1cc(Br)cc(C[NH2+]Cc2nnn(C)n2)c1O ZINC000787338284 699207077 /nfs/dbraw/zinc/20/70/77/699207077.db2.gz YOVAHJZQPXGKAL-UHFFFAOYSA-N 1 2 312.171 1.276 20 10 DDCDLO OC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708188909 699249220 /nfs/dbraw/zinc/24/92/20/699249220.db2.gz CWPPIWDFRRGESO-MRVPVSSYSA-N 1 2 310.575 1.251 20 10 DDCDLO COC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745978 699276612 /nfs/dbraw/zinc/27/66/12/699276612.db2.gz QALPHFHMKBVNDF-SNVBAGLBSA-N 1 2 322.174 1.781 20 10 DDCDLO C[C@@H](NC(=O)NCc1ccccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000729607235 699483242 /nfs/dbraw/zinc/48/32/42/699483242.db2.gz WVOXBZCAKWQSIJ-OLZOCXBDSA-N 1 2 307.394 1.301 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000808211690 701507853 /nfs/dbraw/zinc/50/78/53/701507853.db2.gz DGYWNPLOUATITQ-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000808211690 701507854 /nfs/dbraw/zinc/50/78/54/701507854.db2.gz DGYWNPLOUATITQ-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1O ZINC000868282369 702039824 /nfs/dbraw/zinc/03/98/24/702039824.db2.gz VHPGWLSJOIINEV-CYBMUJFWSA-N 1 2 321.421 1.863 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1O ZINC000868282369 702039832 /nfs/dbraw/zinc/03/98/32/702039832.db2.gz VHPGWLSJOIINEV-CYBMUJFWSA-N 1 2 321.421 1.863 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435286 702881793 /nfs/dbraw/zinc/88/17/93/702881793.db2.gz RYBTUTFJIUARMR-MWLCHTKSSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435286 702881796 /nfs/dbraw/zinc/88/17/96/702881796.db2.gz RYBTUTFJIUARMR-MWLCHTKSSA-N 1 2 317.744 1.541 20 10 DDCDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844390476 703024564 /nfs/dbraw/zinc/02/45/64/703024564.db2.gz HROCOVILRLVDPL-RHSMWYFYSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844390476 703024567 /nfs/dbraw/zinc/02/45/67/703024567.db2.gz HROCOVILRLVDPL-RHSMWYFYSA-N 1 2 319.449 1.868 20 10 DDCDLO Cn1c[nH+]c(CCN2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819168662 704079893 /nfs/dbraw/zinc/07/98/93/704079893.db2.gz AQHQFIVRGGDISX-UHFFFAOYSA-N 1 2 314.345 1.133 20 10 DDCDLO COc1ccc(N2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000819583912 704145134 /nfs/dbraw/zinc/14/51/34/704145134.db2.gz CACXSGMERRTRAG-CQSZACIVSA-N 1 2 314.389 1.534 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN([S@](C)(=N)=O)CC2)cc1 ZINC000879949004 706830407 /nfs/dbraw/zinc/83/04/07/706830407.db2.gz POHBEPDSCNKOIX-NRFANRHFSA-N 1 2 310.467 1.852 20 10 DDCDLO CC1(C)C[N@H+](CCNC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875198352 705312497 /nfs/dbraw/zinc/31/24/97/705312497.db2.gz LXTNUSVNIUCVGP-UHFFFAOYSA-N 1 2 319.405 1.528 20 10 DDCDLO CC1(C)C[N@@H+](CCNC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875198352 705312499 /nfs/dbraw/zinc/31/24/99/705312499.db2.gz LXTNUSVNIUCVGP-UHFFFAOYSA-N 1 2 319.405 1.528 20 10 DDCDLO COCc1n[nH]c(C[NH2+]Cc2cc(Cl)cc(OC)c2O)n1 ZINC000827004960 705911414 /nfs/dbraw/zinc/91/14/14/705911414.db2.gz BKDSMXHWZSGOGF-UHFFFAOYSA-N 1 2 312.757 1.609 20 10 DDCDLO CNS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000877690223 706180402 /nfs/dbraw/zinc/18/04/02/706180402.db2.gz VSSVPONUKQZYIN-UHFFFAOYSA-N 1 2 310.778 1.214 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877703653 706182784 /nfs/dbraw/zinc/18/27/84/706182784.db2.gz CGOJWJKSLUSCOC-INIZCTEOSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877703653 706182786 /nfs/dbraw/zinc/18/27/86/706182786.db2.gz CGOJWJKSLUSCOC-INIZCTEOSA-N 1 2 309.362 1.555 20 10 DDCDLO COc1ccc(N2CCCN(c3nc(C)[nH+]c(N)n3)CC2)cc1 ZINC000865456181 706436401 /nfs/dbraw/zinc/43/64/01/706436401.db2.gz RIGSGHTWSGNTFW-UHFFFAOYSA-N 1 2 314.393 1.488 20 10 DDCDLO O=c1[nH]c(C[NH2+]Cc2cc(Cl)ccc2O)nc2c1COCC2 ZINC000865868383 706547877 /nfs/dbraw/zinc/54/78/77/706547877.db2.gz ZOHMVPWDLFWFQM-UHFFFAOYSA-N 1 2 321.764 1.904 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(Cl)cc1O ZINC000883304693 707972505 /nfs/dbraw/zinc/97/25/05/707972505.db2.gz CVWFBEDABCOZAQ-QMMMGPOBSA-N 1 2 321.768 1.231 20 10 DDCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)n1 ZINC000924713513 714647414 /nfs/dbraw/zinc/64/74/14/714647414.db2.gz DSZYCZDKKDOSKI-LBPRGKRZSA-N 1 2 319.384 1.642 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000925609484 714899178 /nfs/dbraw/zinc/89/91/78/714899178.db2.gz UNAWMSZKQCXAST-KBPBESRZSA-N 1 2 321.421 1.863 20 10 DDCDLO COc1cc(C(=O)NCCOc2cc[nH+]cc2)cc(O)c1O ZINC001193132219 745990771 /nfs/dbraw/zinc/99/07/71/745990771.db2.gz OUYLOOIQUGNBET-UHFFFAOYSA-N 1 2 304.302 1.310 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001169239726 762304738 /nfs/dbraw/zinc/30/47/38/762304738.db2.gz MBNMMWUIQQSBGL-AWEZNQCLSA-N 1 2 314.341 1.590 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(F)cc(F)c1O ZINC001116746652 780551462 /nfs/dbraw/zinc/55/14/62/780551462.db2.gz PRKCEHGSPBGVCV-MRVPVSSYSA-N 1 2 310.304 1.643 20 10 DDCDLO CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617244 846415875 /nfs/dbraw/zinc/41/58/75/846415875.db2.gz UPEBSGVZMHSKGP-INIZCTEOSA-N 1 2 324.327 1.641 20 10 DDCDLO CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617244 846415878 /nfs/dbraw/zinc/41/58/78/846415878.db2.gz UPEBSGVZMHSKGP-INIZCTEOSA-N 1 2 324.327 1.641 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275914112 853936327 /nfs/dbraw/zinc/93/63/27/853936327.db2.gz VMWBLEHMNJCBKS-OKILXGFUSA-N 1 2 307.369 1.908 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275914112 853936333 /nfs/dbraw/zinc/93/63/33/853936333.db2.gz VMWBLEHMNJCBKS-OKILXGFUSA-N 1 2 307.369 1.908 20 10 DDCDLO CC1=NC2(CC[NH+](Cc3c(O)cc(F)cc3F)CC2)C(=O)N1C ZINC001140585560 860658827 /nfs/dbraw/zinc/65/88/27/860658827.db2.gz OAUODGQNIFMSNX-UHFFFAOYSA-N 1 2 323.343 1.895 20 10 DDCDLO Cc1c(O)ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC001140741812 860689234 /nfs/dbraw/zinc/68/92/34/860689234.db2.gz CORLHMFKRRBJOG-UHFFFAOYSA-N 1 2 316.357 1.957 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCc3ncncc3C2)c(OC)c1 ZINC001141028461 860765978 /nfs/dbraw/zinc/76/59/78/860765978.db2.gz PIDDRSGMMRQJEL-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCc3ncncc3C2)c(OC)c1 ZINC001141028461 860765984 /nfs/dbraw/zinc/76/59/84/860765984.db2.gz PIDDRSGMMRQJEL-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)NC1CC1 ZINC001308976552 871540699 /nfs/dbraw/zinc/54/06/99/871540699.db2.gz XJIAZMAGRMBMDH-UHFFFAOYSA-N 1 2 322.789 1.356 20 10 DDCDLO COCCOCN1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276537417 873338805 /nfs/dbraw/zinc/33/88/05/873338805.db2.gz GUSIAWOYIUUYFA-UHFFFAOYSA-N 1 2 310.369 1.412 20 10 DDCDLO CN(C)c1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1F ZINC001347525921 874173191 /nfs/dbraw/zinc/17/31/91/874173191.db2.gz DNTWAOAMRRCCHS-UHFFFAOYSA-N 1 2 304.369 1.874 20 10 DDCDLO O=C(NCC1COC1)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277484781 885195943 /nfs/dbraw/zinc/19/59/43/885195943.db2.gz SYYLHOSJOXNLNT-PXAZEXFGSA-N 1 2 320.364 1.258 20 10 DDCDLO O=C(NCC1COC1)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277484781 885195955 /nfs/dbraw/zinc/19/59/55/885195955.db2.gz SYYLHOSJOXNLNT-PXAZEXFGSA-N 1 2 320.364 1.258 20 10 DDCDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cc(Cl)c(O)cc3O)[C@H]2C1 ZINC001232257503 886188062 /nfs/dbraw/zinc/18/80/62/886188062.db2.gz GBXRMMAETJNDLX-FMSQNYNMSA-N 1 2 313.781 1.723 20 10 DDCDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cc(Cl)c(O)cc3O)[C@H]2C1 ZINC001232257503 886188071 /nfs/dbraw/zinc/18/80/71/886188071.db2.gz GBXRMMAETJNDLX-FMSQNYNMSA-N 1 2 313.781 1.723 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(Cc3ccco3)CC2)cc1O ZINC001233485354 887019104 /nfs/dbraw/zinc/01/91/04/887019104.db2.gz RRPOQTJYSKVWPD-UHFFFAOYSA-N 1 2 304.346 1.714 20 10 DDCDLO Oc1cc(O)c(CN2CC[NH+](Cc3ccco3)CC2)cc1O ZINC001233485354 887019111 /nfs/dbraw/zinc/01/91/11/887019111.db2.gz RRPOQTJYSKVWPD-UHFFFAOYSA-N 1 2 304.346 1.714 20 10 DDCDLO CCN1C[C@@H](C)[N@H+](Cc2cc(OC)cc(OC)c2O)CC1=O ZINC001237679958 889801281 /nfs/dbraw/zinc/80/12/81/889801281.db2.gz GUSTVBMWKHKOAN-LLVKDONJSA-N 1 2 308.378 1.462 20 10 DDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cc(OC)cc(OC)c2O)CC1=O ZINC001237679958 889801294 /nfs/dbraw/zinc/80/12/94/889801294.db2.gz GUSTVBMWKHKOAN-LLVKDONJSA-N 1 2 308.378 1.462 20 10 DDCDLO COc1cc(CN2CCc3c([nH+]cn3C)C2)c(O)c(OC)c1 ZINC001237682384 889803131 /nfs/dbraw/zinc/80/31/31/889803131.db2.gz YRXVVOOLBGMIEQ-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000191191606 296123927 /nfs/dbraw/zinc/12/39/27/296123927.db2.gz NYMYPYIAZZGXIL-MRVPVSSYSA-N 1 2 308.350 1.260 20 10 DDCDLO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1O ZINC000276269366 296129655 /nfs/dbraw/zinc/12/96/55/296129655.db2.gz ZEWWCMZNOJZUHR-BDAKNGLRSA-N 1 2 305.346 1.756 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272233330 130010551 /nfs/dbraw/zinc/01/05/51/130010551.db2.gz FFXTUEGKMYXOLH-AWEZNQCLSA-N 1 2 308.353 1.355 20 10 DDCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000093707004 407200308 /nfs/dbraw/zinc/20/03/08/407200308.db2.gz NKZRQRJRULVJNT-HNNXBMFYSA-N 1 2 319.449 1.558 20 10 DDCDLO Cc1ccc(O)c(C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000120430314 408129056 /nfs/dbraw/zinc/12/90/56/408129056.db2.gz RRFFNQMPQJCISY-HNNXBMFYSA-N 1 2 324.446 1.005 20 10 DDCDLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184744458 408679450 /nfs/dbraw/zinc/67/94/50/408679450.db2.gz CCPNOITUKBMBGT-GFCCVEGCSA-N 1 2 314.769 1.001 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276558067 408883090 /nfs/dbraw/zinc/88/30/90/408883090.db2.gz GCEWILPMADSUFM-ZJUUUORDSA-N 1 2 304.350 1.719 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c1 ZINC000276241490 408826882 /nfs/dbraw/zinc/82/68/82/408826882.db2.gz OGOLWBMFLMOGTJ-CABCVRRESA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c1 ZINC000276241490 408826883 /nfs/dbraw/zinc/82/68/83/408826883.db2.gz OGOLWBMFLMOGTJ-CABCVRRESA-N 1 2 309.362 1.289 20 10 DDCDLO C[N@H+](Cc1nnnn1CC1CCOCC1)Cc1ccccc1O ZINC000277696882 408994725 /nfs/dbraw/zinc/99/47/25/408994725.db2.gz LRZRJXPECYIYPR-UHFFFAOYSA-N 1 2 317.393 1.437 20 10 DDCDLO C[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccccc1O ZINC000277696882 408994728 /nfs/dbraw/zinc/99/47/28/408994728.db2.gz LRZRJXPECYIYPR-UHFFFAOYSA-N 1 2 317.393 1.437 20 10 DDCDLO COCC[N@H+](CCN(C)C)Cc1cc(OC)c(OC)cc1O ZINC000289564075 409281335 /nfs/dbraw/zinc/28/13/35/409281335.db2.gz YZQDCJXSUPMOJF-UHFFFAOYSA-N 1 2 312.410 1.419 20 10 DDCDLO COCC[N@@H+](CCN(C)C)Cc1cc(OC)c(OC)cc1O ZINC000289564075 409281336 /nfs/dbraw/zinc/28/13/36/409281336.db2.gz YZQDCJXSUPMOJF-UHFFFAOYSA-N 1 2 312.410 1.419 20 10 DDCDLO COc1cc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000301909583 410826965 /nfs/dbraw/zinc/82/69/65/410826965.db2.gz FPEBBOQTPMBTHI-UHFFFAOYSA-N 1 2 306.322 1.982 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)cc1 ZINC000374827047 418567064 /nfs/dbraw/zinc/56/70/64/418567064.db2.gz MSDKWEBEIMTXHU-UHFFFAOYSA-N 1 2 315.421 1.628 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000368827060 418725710 /nfs/dbraw/zinc/72/57/10/418725710.db2.gz URHOWSNIQSMSMU-AWEZNQCLSA-N 1 2 308.353 1.250 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000368827060 418725712 /nfs/dbraw/zinc/72/57/12/418725712.db2.gz URHOWSNIQSMSMU-AWEZNQCLSA-N 1 2 308.353 1.250 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804446 418726220 /nfs/dbraw/zinc/72/62/20/418726220.db2.gz DWMMCXUJCGVFRC-MEBBXXQBSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804446 418726223 /nfs/dbraw/zinc/72/62/23/418726223.db2.gz DWMMCXUJCGVFRC-MEBBXXQBSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804446 418726225 /nfs/dbraw/zinc/72/62/25/418726225.db2.gz DWMMCXUJCGVFRC-MEBBXXQBSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804446 418726228 /nfs/dbraw/zinc/72/62/28/418726228.db2.gz DWMMCXUJCGVFRC-MEBBXXQBSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(CC(C)C)C(=O)C2)cc1OC ZINC000190098288 522771981 /nfs/dbraw/zinc/77/19/81/522771981.db2.gz SROFCHHCFYTFQQ-UHFFFAOYSA-N 1 2 322.405 1.710 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(CC(C)C)C(=O)C2)cc1OC ZINC000190098288 522771986 /nfs/dbraw/zinc/77/19/86/522771986.db2.gz SROFCHHCFYTFQQ-UHFFFAOYSA-N 1 2 322.405 1.710 20 10 DDCDLO COc1c(O)c(CNC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281416467 536862898 /nfs/dbraw/zinc/86/28/98/536862898.db2.gz YRALJRDACJFFBB-UHFFFAOYSA-N 1 2 309.366 1.883 20 10 DDCDLO CNC(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715766075 699276851 /nfs/dbraw/zinc/27/68/51/699276851.db2.gz NMDUGRSQLSQXGS-UHFFFAOYSA-N 1 2 305.147 1.520 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547745 700627203 /nfs/dbraw/zinc/62/72/03/700627203.db2.gz GXOODVJRTCTZEO-YUTCNCBUSA-N 1 2 321.377 1.814 20 10 DDCDLO C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547745 700627204 /nfs/dbraw/zinc/62/72/04/700627204.db2.gz GXOODVJRTCTZEO-YUTCNCBUSA-N 1 2 321.377 1.814 20 10 DDCDLO Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c[nH+]1 ZINC000767938153 701146240 /nfs/dbraw/zinc/14/62/40/701146240.db2.gz MCJBIADZSPJHOS-UHFFFAOYSA-N 1 2 301.346 1.896 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1OC ZINC000768440451 701177006 /nfs/dbraw/zinc/17/70/06/701177006.db2.gz WEGVZZSRVNSHHG-UHFFFAOYSA-N 1 2 323.393 1.209 20 10 DDCDLO COC(=O)[C@@H]1CN(C[N@H+](C)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000839952309 701874804 /nfs/dbraw/zinc/87/48/04/701874804.db2.gz DDPOEWIHSILYAG-AWEZNQCLSA-N 1 2 321.377 1.136 20 10 DDCDLO COC(=O)[C@@H]1CN(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000839952309 701874812 /nfs/dbraw/zinc/87/48/12/701874812.db2.gz DDPOEWIHSILYAG-AWEZNQCLSA-N 1 2 321.377 1.136 20 10 DDCDLO COCC(COC)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000840953791 702291782 /nfs/dbraw/zinc/29/17/82/702291782.db2.gz APXHQYJAHFBAKB-UHFFFAOYSA-N 1 2 312.385 1.310 20 10 DDCDLO COc1ccc(N(C[C@H](O)C[NH+]2CCOCC2)CC2CC2)cc1 ZINC000831583228 706734224 /nfs/dbraw/zinc/73/42/24/706734224.db2.gz RKIJMIIDSLBZPY-QGZVFWFLSA-N 1 2 320.433 1.605 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000857876853 704636206 /nfs/dbraw/zinc/63/62/06/704636206.db2.gz AVMZVYZXMUGWMO-UHFFFAOYSA-N 1 2 304.306 1.590 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000857876853 704636207 /nfs/dbraw/zinc/63/62/07/704636207.db2.gz AVMZVYZXMUGWMO-UHFFFAOYSA-N 1 2 304.306 1.590 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000859492462 704916529 /nfs/dbraw/zinc/91/65/29/704916529.db2.gz SMFGSQKZZCESDC-INIZCTEOSA-N 1 2 320.437 1.273 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000859492462 704916532 /nfs/dbraw/zinc/91/65/32/704916532.db2.gz SMFGSQKZZCESDC-INIZCTEOSA-N 1 2 320.437 1.273 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000877703685 706182998 /nfs/dbraw/zinc/18/29/98/706182998.db2.gz DDZNSPUPIVMCEH-QGZVFWFLSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000877703685 706183000 /nfs/dbraw/zinc/18/30/00/706183000.db2.gz DDZNSPUPIVMCEH-QGZVFWFLSA-N 1 2 323.389 1.945 20 10 DDCDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)CS(N)(=O)=O ZINC000877735583 706193500 /nfs/dbraw/zinc/19/35/00/706193500.db2.gz YAYZMYKAGUBHFI-UHFFFAOYSA-N 1 2 324.805 1.589 20 10 DDCDLO COc1ccc(N2CCC(Nc3nc(C)[nH+]c(N)n3)CC2)cc1 ZINC000865500804 706447524 /nfs/dbraw/zinc/44/75/24/706447524.db2.gz GINBEYHKBMKIII-UHFFFAOYSA-N 1 2 314.393 1.852 20 10 DDCDLO CCO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000926961482 712923230 /nfs/dbraw/zinc/92/32/30/712923230.db2.gz PFBAMEOMSIWLRT-DGCLKSJQSA-N 1 2 311.382 1.918 20 10 DDCDLO CCOc1ccc(C[NH+]2CC(OCC(=O)N(C)C)C2)c(O)c1 ZINC000839138844 708029485 /nfs/dbraw/zinc/02/94/85/708029485.db2.gz UTHBGCMCPOQULG-UHFFFAOYSA-N 1 2 308.378 1.080 20 10 DDCDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1c(F)ccc(O)c1O ZINC000898498343 708659596 /nfs/dbraw/zinc/65/95/96/708659596.db2.gz ISJPVGMXGOUKFD-SECBINFHSA-N 1 2 300.305 1.401 20 10 DDCDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1c(F)ccc(O)c1O ZINC000898498343 708659597 /nfs/dbraw/zinc/65/95/97/708659597.db2.gz ISJPVGMXGOUKFD-SECBINFHSA-N 1 2 300.305 1.401 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H]2CCn3ccnc32)ccc1[N+](=O)[O-] ZINC001181932115 743398739 /nfs/dbraw/zinc/39/87/39/743398739.db2.gz CKOPSNBKFZANRG-SNVBAGLBSA-N 1 2 304.306 1.740 20 10 DDCDLO O=C1COC2(C[NH+](Cc3ccccc3O)C2)CN1C1CCCC1 ZINC001272618280 846416035 /nfs/dbraw/zinc/41/60/35/846416035.db2.gz FACWPRWSLGKEFS-UHFFFAOYSA-N 1 2 316.401 1.748 20 10 DDCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831488 859982530 /nfs/dbraw/zinc/98/25/30/859982530.db2.gz BMZWLWOHWVTDBD-UFBFGSQYSA-N 1 2 309.259 1.391 20 10 DDCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)cccc1F ZINC001137831488 859982536 /nfs/dbraw/zinc/98/25/36/859982536.db2.gz BMZWLWOHWVTDBD-UFBFGSQYSA-N 1 2 309.259 1.391 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](F)(CO)C1 ZINC001139126287 860295183 /nfs/dbraw/zinc/29/51/83/860295183.db2.gz DOUAXVHKMRSJJS-MRXNPFEDSA-N 1 2 307.321 1.713 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](F)(CO)C1 ZINC001139126287 860295188 /nfs/dbraw/zinc/29/51/88/860295188.db2.gz DOUAXVHKMRSJJS-MRXNPFEDSA-N 1 2 307.321 1.713 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCc3cnn(C)c3C2)c(OC)c1 ZINC001141030816 860766658 /nfs/dbraw/zinc/76/66/58/860766658.db2.gz MGAYNCQRNSFEQI-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCc3cnn(C)c3C2)c(OC)c1 ZINC001141030816 860766660 /nfs/dbraw/zinc/76/66/60/860766660.db2.gz MGAYNCQRNSFEQI-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO Cc1cc(O)c(C[N@H+](C)CCNS(C)(=O)=O)c(Cl)c1 ZINC001326045101 861063568 /nfs/dbraw/zinc/06/35/68/861063568.db2.gz DLXYRXPULVWRTP-UHFFFAOYSA-N 1 2 306.815 1.335 20 10 DDCDLO Cc1cc(O)c(C[N@@H+](C)CCNS(C)(=O)=O)c(Cl)c1 ZINC001326045101 861063585 /nfs/dbraw/zinc/06/35/85/861063585.db2.gz DLXYRXPULVWRTP-UHFFFAOYSA-N 1 2 306.815 1.335 20 10 DDCDLO Cc1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1C(N)=O ZINC001157245519 863678785 /nfs/dbraw/zinc/67/87/85/863678785.db2.gz FIPXBSJLEYXGOU-UHFFFAOYSA-N 1 2 303.318 1.260 20 10 DDCDLO CN1CCN(c2ccc(C[N@H+](C)Cc3cn[nH]c3)cc2F)CC1 ZINC001319823966 866318402 /nfs/dbraw/zinc/31/84/02/866318402.db2.gz WLLOOIGJQTUXNV-UHFFFAOYSA-N 1 2 317.412 1.933 20 10 DDCDLO CN1CCN(c2ccc(C[N@@H+](C)Cc3cn[nH]c3)cc2F)CC1 ZINC001319823966 866318418 /nfs/dbraw/zinc/31/84/18/866318418.db2.gz WLLOOIGJQTUXNV-UHFFFAOYSA-N 1 2 317.412 1.933 20 10 DDCDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc(O)c1O ZINC001204344710 871067216 /nfs/dbraw/zinc/06/72/16/871067216.db2.gz XKAMCJKTYAQVBA-SNVBAGLBSA-N 1 2 303.305 1.556 20 10 DDCDLO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc(O)c1O ZINC001204344710 871067229 /nfs/dbraw/zinc/06/72/29/871067229.db2.gz XKAMCJKTYAQVBA-SNVBAGLBSA-N 1 2 303.305 1.556 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2nnnn2C)c1O ZINC001308133983 871472885 /nfs/dbraw/zinc/47/28/85/871472885.db2.gz GHEZLLRZPPHLLC-SSDOTTSWSA-N 1 2 309.757 1.623 20 10 DDCDLO CCOC(=O)/C=C\C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000316558225 879413619 /nfs/dbraw/zinc/41/36/19/879413619.db2.gz NMWZRHKLEIYVGB-PLNGDYQASA-N 1 2 304.390 1.937 20 10 DDCDLO COc1ccc(C[NH+]2CC3(C2)CC[C@H](C(=O)N(C)C)O3)c(O)c1 ZINC001277456486 884495341 /nfs/dbraw/zinc/49/53/41/884495341.db2.gz GSKMCODENFQJHX-OAHLLOKOSA-N 1 2 320.389 1.222 20 10 DDCDLO NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(Br)ccc1O ZINC001277457377 884517630 /nfs/dbraw/zinc/51/76/30/884517630.db2.gz MLMFWKXOTSGIEV-TVQRCGJNSA-N 1 2 311.179 1.604 20 10 DDCDLO NC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(Br)ccc1O ZINC001277457377 884517636 /nfs/dbraw/zinc/51/76/36/884517636.db2.gz MLMFWKXOTSGIEV-TVQRCGJNSA-N 1 2 311.179 1.604 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)cc1Cl ZINC001231870177 885916576 /nfs/dbraw/zinc/91/65/76/885916576.db2.gz MMNQPMQWBSQKQV-GFCCVEGCSA-N 1 2 310.781 1.397 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)COC[C@H]3C2)cc1Cl ZINC001231870177 885916592 /nfs/dbraw/zinc/91/65/92/885916592.db2.gz MMNQPMQWBSQKQV-GFCCVEGCSA-N 1 2 310.781 1.397 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261355 886193503 /nfs/dbraw/zinc/19/35/03/886193503.db2.gz ZSCIRVXGOMIGIX-ZDUSSCGKSA-N 1 2 303.717 1.838 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261355 886193511 /nfs/dbraw/zinc/19/35/11/886193511.db2.gz ZSCIRVXGOMIGIX-ZDUSSCGKSA-N 1 2 303.717 1.838 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3cncnc3)CC2)cc1Cl ZINC001232262179 886196551 /nfs/dbraw/zinc/19/65/51/886196551.db2.gz BPPRVCMASMQJAC-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1Cl ZINC001236800564 889359965 /nfs/dbraw/zinc/35/99/65/889359965.db2.gz AKYMJEIXOPYTRI-LBPRGKRZSA-N 1 2 312.797 1.571 20 10 DDCDLO COc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(O)c1Cl ZINC001236800564 889359974 /nfs/dbraw/zinc/35/99/74/889359974.db2.gz AKYMJEIXOPYTRI-LBPRGKRZSA-N 1 2 312.797 1.571 20 10 DDCDLO O=c1[nH]nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000091619263 353832199 /nfs/dbraw/zinc/83/21/99/353832199.db2.gz YQBGOXKKCFPUET-LBPRGKRZSA-N 1 2 304.350 1.397 20 10 DDCDLO O=c1[nH]nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000091619263 353832202 /nfs/dbraw/zinc/83/22/02/353832202.db2.gz YQBGOXKKCFPUET-LBPRGKRZSA-N 1 2 304.350 1.397 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1O ZINC000287428803 131279783 /nfs/dbraw/zinc/27/97/83/131279783.db2.gz PJEYZKMIKIOWGR-CHWSQXEVSA-N 1 2 313.781 1.566 20 10 DDCDLO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)C(N)=O ZINC000079432325 407054900 /nfs/dbraw/zinc/05/49/00/407054900.db2.gz XKJWFATWIYGLBH-SECBINFHSA-N 1 2 312.341 1.056 20 10 DDCDLO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)C(N)=O ZINC000079432325 407054903 /nfs/dbraw/zinc/05/49/03/407054903.db2.gz XKJWFATWIYGLBH-SECBINFHSA-N 1 2 312.341 1.056 20 10 DDCDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093810352 407202378 /nfs/dbraw/zinc/20/23/78/407202378.db2.gz ZDTNBRIEULCYFJ-NSHDSACASA-N 1 2 302.334 1.587 20 10 DDCDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093810352 407202381 /nfs/dbraw/zinc/20/23/81/407202381.db2.gz ZDTNBRIEULCYFJ-NSHDSACASA-N 1 2 302.334 1.587 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000179717612 407824553 /nfs/dbraw/zinc/82/45/53/407824553.db2.gz GTIHOQXOBNDAGY-GOSISDBHSA-N 1 2 319.449 1.870 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000179717612 407824557 /nfs/dbraw/zinc/82/45/57/407824557.db2.gz GTIHOQXOBNDAGY-GOSISDBHSA-N 1 2 319.449 1.870 20 10 DDCDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184744441 408681446 /nfs/dbraw/zinc/68/14/46/408681446.db2.gz CCPNOITUKBMBGT-LBPRGKRZSA-N 1 2 314.769 1.001 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000292818842 409043994 /nfs/dbraw/zinc/04/39/94/409043994.db2.gz PREFBMNIIRPGLQ-ZDUSSCGKSA-N 1 2 314.426 1.758 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000292818842 409043996 /nfs/dbraw/zinc/04/39/96/409043996.db2.gz PREFBMNIIRPGLQ-ZDUSSCGKSA-N 1 2 314.426 1.758 20 10 DDCDLO Cc1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c(O)c1O ZINC000279245428 409176749 /nfs/dbraw/zinc/17/67/49/409176749.db2.gz GNXDYEGYHOTCPM-UHFFFAOYSA-N 1 2 322.405 1.589 20 10 DDCDLO Cc1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c(O)c1O ZINC000279245428 409176751 /nfs/dbraw/zinc/17/67/51/409176751.db2.gz GNXDYEGYHOTCPM-UHFFFAOYSA-N 1 2 322.405 1.589 20 10 DDCDLO C[NH+](C)CCn1ccc(NCc2cc([N+](=O)[O-])ccc2O)n1 ZINC000119785741 696685525 /nfs/dbraw/zinc/68/55/25/696685525.db2.gz JFDDAOLRQBWBDT-UHFFFAOYSA-N 1 2 305.338 1.671 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090380 697962109 /nfs/dbraw/zinc/96/21/09/697962109.db2.gz SXXNNUDFAWILRK-JOYOIKCWSA-N 1 2 323.349 1.395 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090380 697962112 /nfs/dbraw/zinc/96/21/12/697962112.db2.gz SXXNNUDFAWILRK-JOYOIKCWSA-N 1 2 323.349 1.395 20 10 DDCDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779215090 698402433 /nfs/dbraw/zinc/40/24/33/698402433.db2.gz IHWAISPNYVQUGY-LBPRGKRZSA-N 1 2 306.362 1.564 20 10 DDCDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779215090 698402436 /nfs/dbraw/zinc/40/24/36/698402436.db2.gz IHWAISPNYVQUGY-LBPRGKRZSA-N 1 2 306.362 1.564 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)F)C1)[C@@H](O)CO2 ZINC000800853482 700249370 /nfs/dbraw/zinc/24/93/70/700249370.db2.gz RIBKSMWXOZDFPN-WCQYABFASA-N 1 2 301.289 1.284 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)F)C1)[C@@H](O)CO2 ZINC000800853482 700249373 /nfs/dbraw/zinc/24/93/73/700249373.db2.gz RIBKSMWXOZDFPN-WCQYABFASA-N 1 2 301.289 1.284 20 10 DDCDLO OCC1(C[NH2+]Cc2cc(Br)cc(F)c2O)COC1 ZINC000715746487 699276893 /nfs/dbraw/zinc/27/68/93/699276893.db2.gz WNEMWSZDVDGEHH-UHFFFAOYSA-N 1 2 320.158 1.392 20 10 DDCDLO FC(F)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000802655102 700415942 /nfs/dbraw/zinc/41/59/42/700415942.db2.gz PSFXBIFJAYDZGJ-HNNXBMFYSA-N 1 2 312.360 1.989 20 10 DDCDLO FC(F)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000802655102 700415944 /nfs/dbraw/zinc/41/59/44/700415944.db2.gz PSFXBIFJAYDZGJ-HNNXBMFYSA-N 1 2 312.360 1.989 20 10 DDCDLO CCCCOc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819420134 704123088 /nfs/dbraw/zinc/12/30/88/704123088.db2.gz OVRSUOZMKVUSEG-OAHLLOKOSA-N 1 2 308.422 1.971 20 10 DDCDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877432798 706105265 /nfs/dbraw/zinc/10/52/65/706105265.db2.gz HGQNZBNHAWTKHJ-AWEZNQCLSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877432798 706105268 /nfs/dbraw/zinc/10/52/68/706105268.db2.gz HGQNZBNHAWTKHJ-AWEZNQCLSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877516059 706129522 /nfs/dbraw/zinc/12/95/22/706129522.db2.gz BGAAOPCNMSNERQ-YPMHNXCESA-N 1 2 312.360 1.965 20 10 DDCDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877516059 706129523 /nfs/dbraw/zinc/12/95/23/706129523.db2.gz BGAAOPCNMSNERQ-YPMHNXCESA-N 1 2 312.360 1.965 20 10 DDCDLO CN1CCN(Cc2cc(Cl)c(F)cc2O)CC[N@H+](C)CC1 ZINC000897858268 708471935 /nfs/dbraw/zinc/47/19/35/708471935.db2.gz DTAOBCNTNFGKKA-UHFFFAOYSA-N 1 2 315.820 1.864 20 10 DDCDLO CN1CCN(Cc2cc(Cl)c(F)cc2O)CC[N@@H+](C)CC1 ZINC000897858268 708471936 /nfs/dbraw/zinc/47/19/36/708471936.db2.gz DTAOBCNTNFGKKA-UHFFFAOYSA-N 1 2 315.820 1.864 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892106250 710373406 /nfs/dbraw/zinc/37/34/06/710373406.db2.gz UQNDUZSMPHHLAN-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892106250 710373408 /nfs/dbraw/zinc/37/34/08/710373408.db2.gz UQNDUZSMPHHLAN-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO COCCCNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893913234 710884270 /nfs/dbraw/zinc/88/42/70/710884270.db2.gz PANALTSOKGQXFF-UHFFFAOYSA-N 1 2 302.321 1.255 20 10 DDCDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893913234 710884273 /nfs/dbraw/zinc/88/42/73/710884273.db2.gz PANALTSOKGQXFF-UHFFFAOYSA-N 1 2 302.321 1.255 20 10 DDCDLO Cn1cc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)cn1 ZINC000894025154 710932868 /nfs/dbraw/zinc/93/28/68/710932868.db2.gz SGPDWAOVBMCZLM-UHFFFAOYSA-N 1 2 308.332 1.726 20 10 DDCDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccccc2O)[nH]n1 ZINC000896016279 711664695 /nfs/dbraw/zinc/66/46/95/711664695.db2.gz ZRSCNPOIPGPOIS-CQSZACIVSA-N 1 2 300.362 1.812 20 10 DDCDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccccc2O)[nH]n1 ZINC000896016279 711664697 /nfs/dbraw/zinc/66/46/97/711664697.db2.gz ZRSCNPOIPGPOIS-CQSZACIVSA-N 1 2 300.362 1.812 20 10 DDCDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1O ZINC001204565880 733726684 /nfs/dbraw/zinc/72/66/84/733726684.db2.gz PTVXDMYCSTUBSC-UHFFFAOYSA-N 1 2 307.362 1.925 20 10 DDCDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1O ZINC001204565880 733726686 /nfs/dbraw/zinc/72/66/86/733726686.db2.gz PTVXDMYCSTUBSC-UHFFFAOYSA-N 1 2 307.362 1.925 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001182600919 743678987 /nfs/dbraw/zinc/67/89/87/743678987.db2.gz VELMHXNPCBIAHZ-UHFFFAOYSA-N 1 2 304.277 1.535 20 10 DDCDLO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc(OC)n1 ZINC001007792849 752356271 /nfs/dbraw/zinc/35/62/71/752356271.db2.gz QQUFHLACBUTFSY-LBPRGKRZSA-N 1 2 311.357 1.263 20 10 DDCDLO COc1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc(OC)n1 ZINC001007792849 752356278 /nfs/dbraw/zinc/35/62/78/752356278.db2.gz QQUFHLACBUTFSY-LBPRGKRZSA-N 1 2 311.357 1.263 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnc(N)nc3)CC2)c(C)c1 ZINC001138169402 860029068 /nfs/dbraw/zinc/02/90/68/860029068.db2.gz FWISFJHDMCNACW-UHFFFAOYSA-N 1 2 313.405 1.698 20 10 DDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140057397 860566585 /nfs/dbraw/zinc/56/65/85/860566585.db2.gz FIEGVWNJTYSBGX-LBPRGKRZSA-N 1 2 309.259 1.657 20 10 DDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140057397 860566586 /nfs/dbraw/zinc/56/65/86/860566586.db2.gz FIEGVWNJTYSBGX-LBPRGKRZSA-N 1 2 309.259 1.657 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c(OC)c1 ZINC001141029128 860767396 /nfs/dbraw/zinc/76/73/96/860767396.db2.gz JQJYEKIHCRLMAR-SWLSCSKDSA-N 1 2 306.406 1.935 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c(OC)c1 ZINC001141029128 860767399 /nfs/dbraw/zinc/76/73/99/860767399.db2.gz JQJYEKIHCRLMAR-SWLSCSKDSA-N 1 2 306.406 1.935 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc(O)c1O ZINC001204344663 871063038 /nfs/dbraw/zinc/06/30/38/871063038.db2.gz APBKRPWPHDWCQU-OAHLLOKOSA-N 1 2 308.334 1.181 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc(O)c1O ZINC001204344663 871063054 /nfs/dbraw/zinc/06/30/54/871063054.db2.gz APBKRPWPHDWCQU-OAHLLOKOSA-N 1 2 308.334 1.181 20 10 DDCDLO Cc1cc(C[NH+]2CC3(C2)CC[C@H](C(N)=O)O3)ccc1N(C)C ZINC001276929332 881138991 /nfs/dbraw/zinc/13/89/91/881138991.db2.gz UIPDAHMWLXLRMH-OAHLLOKOSA-N 1 2 303.406 1.280 20 10 DDCDLO COc1cc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c(O)cc1O ZINC001231636215 885771791 /nfs/dbraw/zinc/77/17/91/885771791.db2.gz LJVSLQZCTJILOU-AWEZNQCLSA-N 1 2 322.405 1.403 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001231853381 885908415 /nfs/dbraw/zinc/90/84/15/885908415.db2.gz JJETXBSASOVBAP-AWEZNQCLSA-N 1 2 312.435 1.380 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001231853381 885908420 /nfs/dbraw/zinc/90/84/20/885908420.db2.gz JJETXBSASOVBAP-AWEZNQCLSA-N 1 2 312.435 1.380 20 10 DDCDLO COC(=O)C1(O)CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237939697 889950319 /nfs/dbraw/zinc/95/03/19/889950319.db2.gz FIMGBSYRDIWABZ-UHFFFAOYSA-N 1 2 317.744 1.685 20 10 DDCDLO Cc1cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c[nH+]c1N ZINC001249783336 894125039 /nfs/dbraw/zinc/12/50/39/894125039.db2.gz AJMUUGQVLPCVOZ-UHFFFAOYSA-N 1 2 306.391 1.521 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368411 284184446 /nfs/dbraw/zinc/18/44/46/284184446.db2.gz TZXDPQSSKXXUEO-CVEARBPZSA-N 1 2 306.406 1.905 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368411 284184448 /nfs/dbraw/zinc/18/44/48/284184448.db2.gz TZXDPQSSKXXUEO-CVEARBPZSA-N 1 2 306.406 1.905 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000279045553 409137167 /nfs/dbraw/zinc/13/71/67/409137167.db2.gz BXRCJLOXKPDRHU-DIECRNLCSA-N 1 2 320.389 1.290 20 10 DDCDLO Cc1cccc(C[N@@H+]2CCN(CC(F)(F)F)C(=O)C2)c1O ZINC000289957542 409290363 /nfs/dbraw/zinc/29/03/63/409290363.db2.gz YZGYTIJHKNWAIN-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO Cc1cccc(C[N@H+]2CCN(CC(F)(F)F)C(=O)C2)c1O ZINC000289957542 409290365 /nfs/dbraw/zinc/29/03/65/409290365.db2.gz YZGYTIJHKNWAIN-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000191416244 222102156 /nfs/dbraw/zinc/10/21/56/222102156.db2.gz XOHCBKHKWQUOQK-UHFFFAOYSA-N 1 2 323.755 1.837 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@H+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000191416244 222102157 /nfs/dbraw/zinc/10/21/57/222102157.db2.gz XOHCBKHKWQUOQK-UHFFFAOYSA-N 1 2 323.755 1.837 20 10 DDCDLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1O ZINC000369597489 418735564 /nfs/dbraw/zinc/73/55/64/418735564.db2.gz ZQLRYEGRMGBTFO-JTQLQIEISA-N 1 2 318.333 1.220 20 10 DDCDLO COc1cccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1O ZINC000369597489 418735566 /nfs/dbraw/zinc/73/55/66/418735566.db2.gz ZQLRYEGRMGBTFO-JTQLQIEISA-N 1 2 318.333 1.220 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368413 418743881 /nfs/dbraw/zinc/74/38/81/418743881.db2.gz TZXDPQSSKXXUEO-HZPDHXFCSA-N 1 2 306.406 1.905 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000370368413 418743883 /nfs/dbraw/zinc/74/38/83/418743883.db2.gz TZXDPQSSKXXUEO-HZPDHXFCSA-N 1 2 306.406 1.905 20 10 DDCDLO COc1cccc(C[NH+]2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000371326176 418779583 /nfs/dbraw/zinc/77/95/83/418779583.db2.gz HYRVYFWQGRPMKS-HUUCEWRRSA-N 1 2 306.406 1.432 20 10 DDCDLO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187774347 279610273 /nfs/dbraw/zinc/61/02/73/279610273.db2.gz MOQZQRCGNNQKNA-VIFPVBQESA-N 1 2 322.377 1.649 20 10 DDCDLO COCCc1noc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)n1 ZINC000164490569 697336472 /nfs/dbraw/zinc/33/64/72/697336472.db2.gz NNVUXPAWQOGWPQ-UHFFFAOYSA-N 1 2 321.377 1.913 20 10 DDCDLO COCCc1noc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)n1 ZINC000164490569 697336474 /nfs/dbraw/zinc/33/64/74/697336474.db2.gz NNVUXPAWQOGWPQ-UHFFFAOYSA-N 1 2 321.377 1.913 20 10 DDCDLO COc1ccc(O)c(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000172064081 697364363 /nfs/dbraw/zinc/36/43/63/697364363.db2.gz ABWZEDQDBGONSY-UHFFFAOYSA-N 1 2 304.350 1.487 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)c1 ZINC000779069385 698393543 /nfs/dbraw/zinc/39/35/43/698393543.db2.gz RJJLQKIGNLDPRZ-SECBINFHSA-N 1 2 318.329 1.722 20 10 DDCDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)C1CCOCC1 ZINC000789580123 699396878 /nfs/dbraw/zinc/39/68/78/699396878.db2.gz LILTZNCEVDLFBC-OAHLLOKOSA-N 1 2 323.389 1.849 20 10 DDCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nnc2n1CCOC2 ZINC000791007614 699606589 /nfs/dbraw/zinc/60/65/89/699606589.db2.gz NAVFFQDPICQZBK-UHFFFAOYSA-N 1 2 312.732 1.596 20 10 DDCDLO COC(=O)COc1ccc(N(C)Cc2ccc(N)[nH+]c2)cc1 ZINC000843119430 702822766 /nfs/dbraw/zinc/82/27/66/702822766.db2.gz OVYTZRNYAAOSGF-UHFFFAOYSA-N 1 2 301.346 1.852 20 10 DDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C3(F)CC3)CC2)cc1 ZINC000843775416 702921970 /nfs/dbraw/zinc/92/19/70/702921970.db2.gz CHAKKXIYJRDTSM-UHFFFAOYSA-N 1 2 321.396 1.436 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000866765119 706793414 /nfs/dbraw/zinc/79/34/14/706793414.db2.gz RVDVCMNPGIUWHZ-DHCBQETCSA-N 1 2 320.389 1.466 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000875195367 705311924 /nfs/dbraw/zinc/31/19/24/705311924.db2.gz NQYDEMSXSROVMZ-ZDUSSCGKSA-N 1 2 307.394 1.221 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000875195367 705311926 /nfs/dbraw/zinc/31/19/26/705311926.db2.gz NQYDEMSXSROVMZ-ZDUSSCGKSA-N 1 2 307.394 1.221 20 10 DDCDLO CC[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCNC1=O ZINC000862353817 705699460 /nfs/dbraw/zinc/69/94/60/705699460.db2.gz BEPJYZARYSDSFD-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO CC[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCNC1=O ZINC000862353817 705699462 /nfs/dbraw/zinc/69/94/62/705699462.db2.gz BEPJYZARYSDSFD-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO Cc1nc(NCc2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000865461441 706437758 /nfs/dbraw/zinc/43/77/58/706437758.db2.gz WIHWQPOFABYFKW-UHFFFAOYSA-N 1 2 300.366 1.211 20 10 DDCDLO Cc1nc(N)nc(NCc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000865461441 706437760 /nfs/dbraw/zinc/43/77/60/706437760.db2.gz WIHWQPOFABYFKW-UHFFFAOYSA-N 1 2 300.366 1.211 20 10 DDCDLO CCC[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000894676590 711235710 /nfs/dbraw/zinc/23/57/10/711235710.db2.gz SQEFRIMARDUSTH-LBPRGKRZSA-N 1 2 312.316 1.640 20 10 DDCDLO CCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000894676590 711235717 /nfs/dbraw/zinc/23/57/17/711235717.db2.gz SQEFRIMARDUSTH-LBPRGKRZSA-N 1 2 312.316 1.640 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001142527581 742145680 /nfs/dbraw/zinc/14/56/80/742145680.db2.gz ZUKKWUATEXGRTL-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)NCC2C[NH+](CCF)C2)cc1 ZINC001032218778 749005866 /nfs/dbraw/zinc/00/58/66/749005866.db2.gz CMIAYRJPNSLAAV-UHFFFAOYSA-N 1 2 307.329 1.480 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2F)CC1 ZINC001118018717 780990951 /nfs/dbraw/zinc/99/09/51/780990951.db2.gz JEUGOSRVSHCXOZ-MRXNPFEDSA-N 1 2 320.456 1.667 20 10 DDCDLO Cc1cccc(C[NH+]2CC3(C2)CN(CC(C)C)C(=O)CO3)c1O ZINC001273769526 851322244 /nfs/dbraw/zinc/32/22/44/851322244.db2.gz KLSGYVNNEACIJU-UHFFFAOYSA-N 1 2 318.417 1.770 20 10 DDCDLO COc1nccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001140692857 860679396 /nfs/dbraw/zinc/67/93/96/860679396.db2.gz UCRKWZOJBCUQGC-UHFFFAOYSA-N 1 2 301.346 1.845 20 10 DDCDLO COc1nccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001140692857 860679400 /nfs/dbraw/zinc/67/94/00/860679400.db2.gz UCRKWZOJBCUQGC-UHFFFAOYSA-N 1 2 301.346 1.845 20 10 DDCDLO Cn1c[nH+]c(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001141924640 860970382 /nfs/dbraw/zinc/97/03/82/860970382.db2.gz LCMODMOXSYZYCG-UHFFFAOYSA-N 1 2 300.322 1.555 20 10 DDCDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2c(O)cccc2O)[nH]n1 ZINC001156886209 863416810 /nfs/dbraw/zinc/41/68/10/863416810.db2.gz VVFBFYJACQMLRK-ZDUSSCGKSA-N 1 2 316.361 1.518 20 10 DDCDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2c(O)cccc2O)[nH]n1 ZINC001156886209 863416813 /nfs/dbraw/zinc/41/68/13/863416813.db2.gz VVFBFYJACQMLRK-ZDUSSCGKSA-N 1 2 316.361 1.518 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203635504 870688972 /nfs/dbraw/zinc/68/89/72/870688972.db2.gz YXOPDRPKTKILID-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(OC)cc1O ZINC001203635504 870688982 /nfs/dbraw/zinc/68/89/82/870688982.db2.gz YXOPDRPKTKILID-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO COc1cccnc1N1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880746 870816665 /nfs/dbraw/zinc/81/66/65/870816665.db2.gz YMNCIWBIBDBJNW-UHFFFAOYSA-N 1 2 315.373 1.824 20 10 DDCDLO CC[C@@H](F)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001346761395 873884938 /nfs/dbraw/zinc/88/49/38/873884938.db2.gz ACAQZZZNYQJSDI-MRXNPFEDSA-N 1 2 323.412 1.682 20 10 DDCDLO O=C(Nc1nnco1)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001277193122 882931683 /nfs/dbraw/zinc/93/16/83/882931683.db2.gz YNRDQGVFONHEOX-BMIGLBTASA-N 1 2 316.317 1.084 20 10 DDCDLO O=C(Nc1nnco1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001277193122 882931693 /nfs/dbraw/zinc/93/16/93/882931693.db2.gz YNRDQGVFONHEOX-BMIGLBTASA-N 1 2 316.317 1.084 20 10 DDCDLO COc1ccc(C[NH2+]Cc2nnc([C@@H]3CCOC3)o2)c(O)c1 ZINC001217718480 877289010 /nfs/dbraw/zinc/28/90/10/877289010.db2.gz KRVIPIHLMVYCJN-LLVKDONJSA-N 1 2 305.334 1.578 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)N1CCOCC1 ZINC001231847724 885904777 /nfs/dbraw/zinc/90/47/77/885904777.db2.gz BWQBCIXEQKCJBT-UHFFFAOYSA-N 1 2 321.421 1.052 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC001231847724 885904787 /nfs/dbraw/zinc/90/47/87/885904787.db2.gz BWQBCIXEQKCJBT-UHFFFAOYSA-N 1 2 321.421 1.052 20 10 DDCDLO Oc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233009836 886721442 /nfs/dbraw/zinc/72/14/42/886721442.db2.gz DFUBXWJPTMXGDR-UHFFFAOYSA-N 1 2 307.268 1.693 20 10 DDCDLO COC(=O)C[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811318 889367896 /nfs/dbraw/zinc/36/78/96/889367896.db2.gz OORQTKHXPOTWEW-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811318 889367911 /nfs/dbraw/zinc/36/79/11/889367911.db2.gz OORQTKHXPOTWEW-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000007359612 352123274 /nfs/dbraw/zinc/12/32/74/352123274.db2.gz OQVXSQPHGHDGNT-ZDUSSCGKSA-N 1 2 303.406 1.484 20 10 DDCDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(O)c3O)CC2)S1 ZINC000274997528 130280101 /nfs/dbraw/zinc/28/01/01/130280101.db2.gz TUURZBVIGMWVHI-JTQLQIEISA-N 1 2 321.402 1.347 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(N)=O)CC2)c1O ZINC000079756581 407062163 /nfs/dbraw/zinc/06/21/63/407062163.db2.gz GPPHAEOWIMCQOM-UHFFFAOYSA-N 1 2 309.341 1.320 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(N)=O)CC2)c1O ZINC000079756581 407062164 /nfs/dbraw/zinc/06/21/64/407062164.db2.gz GPPHAEOWIMCQOM-UHFFFAOYSA-N 1 2 309.341 1.320 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187287850 407839375 /nfs/dbraw/zinc/83/93/75/407839375.db2.gz KDUSSIVLLRHLJP-INIZCTEOSA-N 1 2 318.417 1.852 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187287850 407839383 /nfs/dbraw/zinc/83/93/83/407839383.db2.gz KDUSSIVLLRHLJP-INIZCTEOSA-N 1 2 318.417 1.852 20 10 DDCDLO COCCc1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000268168214 407927474 /nfs/dbraw/zinc/92/74/74/407927474.db2.gz PKVUXCCXPNEUNL-UHFFFAOYSA-N 1 2 321.333 1.325 20 10 DDCDLO COCCc1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000268168214 407927480 /nfs/dbraw/zinc/92/74/80/407927480.db2.gz PKVUXCCXPNEUNL-UHFFFAOYSA-N 1 2 321.333 1.325 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184698391 408670452 /nfs/dbraw/zinc/67/04/52/408670452.db2.gz SIJQNNADAVWPPW-UHFFFAOYSA-N 1 2 321.826 1.921 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184698391 408670455 /nfs/dbraw/zinc/67/04/55/408670455.db2.gz SIJQNNADAVWPPW-UHFFFAOYSA-N 1 2 321.826 1.921 20 10 DDCDLO Cc1cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1N(C)C ZINC000292914630 409046469 /nfs/dbraw/zinc/04/64/69/409046469.db2.gz XKOUGFQSDJZYKC-UHFFFAOYSA-N 1 2 318.465 1.443 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278162064 409076444 /nfs/dbraw/zinc/07/64/44/409076444.db2.gz DTSVLWOLKUGZEU-CYBMUJFWSA-N 1 2 308.334 1.920 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278162064 409076447 /nfs/dbraw/zinc/07/64/47/409076447.db2.gz DTSVLWOLKUGZEU-CYBMUJFWSA-N 1 2 308.334 1.920 20 10 DDCDLO Cn1cnc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000374418487 418527927 /nfs/dbraw/zinc/52/79/27/418527927.db2.gz DHPWSTJEATYJAI-UHFFFAOYSA-N 1 2 312.417 1.815 20 10 DDCDLO Cn1cnc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000374418487 418527932 /nfs/dbraw/zinc/52/79/32/418527932.db2.gz DHPWSTJEATYJAI-UHFFFAOYSA-N 1 2 312.417 1.815 20 10 DDCDLO Cn1c[nH+]c2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000374418487 418527934 /nfs/dbraw/zinc/52/79/34/418527934.db2.gz DHPWSTJEATYJAI-UHFFFAOYSA-N 1 2 312.417 1.815 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000374951930 418582553 /nfs/dbraw/zinc/58/25/53/418582553.db2.gz LJUOIESFZVCAAJ-DGCLKSJQSA-N 1 2 315.373 1.604 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000378346024 418721057 /nfs/dbraw/zinc/72/10/57/418721057.db2.gz CCVUGLVFWMVDCN-CVEARBPZSA-N 1 2 320.433 1.822 20 10 DDCDLO O=c1ccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n[nH]1 ZINC000372976767 418918255 /nfs/dbraw/zinc/91/82/55/418918255.db2.gz OUDDXOOQMJKAOG-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180153895 524832039 /nfs/dbraw/zinc/83/20/39/524832039.db2.gz NDKNFZHIMWRSAX-JTQLQIEISA-N 1 2 301.383 1.929 20 10 DDCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180153895 524832044 /nfs/dbraw/zinc/83/20/44/524832044.db2.gz NDKNFZHIMWRSAX-JTQLQIEISA-N 1 2 301.383 1.929 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775722801 698025691 /nfs/dbraw/zinc/02/56/91/698025691.db2.gz CDHQJOAIBYBUII-UHFFFAOYSA-N 1 2 323.755 1.837 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775722801 698025696 /nfs/dbraw/zinc/02/56/96/698025696.db2.gz CDHQJOAIBYBUII-UHFFFAOYSA-N 1 2 323.755 1.837 20 10 DDCDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000778583277 698350074 /nfs/dbraw/zinc/35/00/74/698350074.db2.gz SLDGZGYMMYULJN-LBPRGKRZSA-N 1 2 323.780 1.837 20 10 DDCDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000778583277 698350077 /nfs/dbraw/zinc/35/00/77/698350077.db2.gz SLDGZGYMMYULJN-LBPRGKRZSA-N 1 2 323.780 1.837 20 10 DDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000779513431 698429493 /nfs/dbraw/zinc/42/94/93/698429493.db2.gz HNWINSNFZMBBDR-RQOWECAXSA-N 1 2 312.325 1.796 20 10 DDCDLO NC(=O)CC1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000817410964 702373144 /nfs/dbraw/zinc/37/31/44/702373144.db2.gz KXZOLFIATYOLGJ-UHFFFAOYSA-N 1 2 313.195 1.900 20 10 DDCDLO COc1ccc(N2CC[C@H](Nc3nc[nH+]c(N)c3OC)C2)cc1 ZINC000853759918 704311833 /nfs/dbraw/zinc/31/18/33/704311833.db2.gz DQTPSZRZKIABRI-NSHDSACASA-N 1 2 315.377 1.767 20 10 DDCDLO COc1ccc(N2CC[C@H](Nc3[nH+]cnc(N)c3OC)C2)cc1 ZINC000853759918 704311836 /nfs/dbraw/zinc/31/18/36/704311836.db2.gz DQTPSZRZKIABRI-NSHDSACASA-N 1 2 315.377 1.767 20 10 DDCDLO CS(=O)(=O)NC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000862486138 705722080 /nfs/dbraw/zinc/72/20/80/705722080.db2.gz WQPANIXQCZARJD-UHFFFAOYSA-N 1 2 306.387 1.279 20 10 DDCDLO Cc1cc(N(C)C)ccc1C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000877790085 706214945 /nfs/dbraw/zinc/21/49/45/706214945.db2.gz RCZYTNHTHXPUIL-NRFANRHFSA-N 1 2 310.467 1.770 20 10 DDCDLO CCn1c[nH+]c2c1CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000897337324 708296040 /nfs/dbraw/zinc/29/60/40/708296040.db2.gz ZCVOWPBEINELSZ-UHFFFAOYSA-N 1 2 301.346 1.896 20 10 DDCDLO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CC2 ZINC000897345224 708298883 /nfs/dbraw/zinc/29/88/83/708298883.db2.gz JEQDJKGYHSMJKB-SNVBAGLBSA-N 1 2 310.760 1.960 20 10 DDCDLO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000895770555 711601282 /nfs/dbraw/zinc/60/12/82/711601282.db2.gz GRFSJYWEEYHERH-CYBMUJFWSA-N 1 2 310.781 1.430 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccc(N)nn3)CC2)cc1F ZINC000904345352 711843971 /nfs/dbraw/zinc/84/39/71/711843971.db2.gz HBCQDSOHGWOMOO-UHFFFAOYSA-N 1 2 317.368 1.529 20 10 DDCDLO COc1ccc([N@H+](CC2CC2)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000930639618 713884385 /nfs/dbraw/zinc/88/43/85/713884385.db2.gz IMQMDEZXXUOAAZ-UHFFFAOYSA-N 1 2 324.446 1.803 20 10 DDCDLO COc1ccc([N@@H+](CC2CC2)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000930639618 713884387 /nfs/dbraw/zinc/88/43/87/713884387.db2.gz IMQMDEZXXUOAAZ-UHFFFAOYSA-N 1 2 324.446 1.803 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168067283 741166348 /nfs/dbraw/zinc/16/63/48/741166348.db2.gz SVFWDSYUQRBFHP-UHTWSYAYSA-N 1 2 309.362 1.339 20 10 DDCDLO NC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC001202528552 749225727 /nfs/dbraw/zinc/22/57/27/749225727.db2.gz PDEGEUQJJCHFQE-KRWDZBQOSA-N 1 2 310.401 1.998 20 10 DDCDLO Cc1nnc(CC[NH2+]Cc2ccc(Br)cc2O)[nH]1 ZINC000691394089 749767705 /nfs/dbraw/zinc/76/77/05/749767705.db2.gz ZNNITPHFBUIYRP-UHFFFAOYSA-N 1 2 311.183 1.914 20 10 DDCDLO C/C(=C\C(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCOCC1 ZINC000820540553 758109692 /nfs/dbraw/zinc/10/96/92/758109692.db2.gz NMUXJRZMUQDNLS-XYOKQWHBSA-N 1 2 324.808 1.940 20 10 DDCDLO Nc1cc(CC(=O)N2CCCc3cc(O)c(O)cc3C2)cc[nH+]1 ZINC001181254297 850992612 /nfs/dbraw/zinc/99/26/12/850992612.db2.gz HFWYJFXMXUNOBQ-UHFFFAOYSA-N 1 2 313.357 1.593 20 10 DDCDLO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C(F)(F)F)CC2)c1 ZINC001140619808 860663053 /nfs/dbraw/zinc/66/30/53/860663053.db2.gz PEIPKVMCMQGQMY-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516627 873126214 /nfs/dbraw/zinc/12/62/14/873126214.db2.gz KMWIUYWURHRCDH-UHFFFAOYSA-N 1 2 321.377 1.182 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC[C@@H]1O ZINC001237078702 889498561 /nfs/dbraw/zinc/49/85/61/889498561.db2.gz WOIRZTGHRDEORH-KCJUWKMLSA-N 1 2 306.189 1.874 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2CCOCC2)C1 ZINC001231853574 885907606 /nfs/dbraw/zinc/90/76/06/885907606.db2.gz LYDZFEKFDHOZKQ-UHFFFAOYSA-N 1 2 305.422 1.278 20 10 DDCDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840935 886627052 /nfs/dbraw/zinc/62/70/52/886627052.db2.gz NHUYNZIAZZDFDB-AWEZNQCLSA-N 1 2 324.446 1.939 20 10 DDCDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840935 886627063 /nfs/dbraw/zinc/62/70/63/886627063.db2.gz NHUYNZIAZZDFDB-AWEZNQCLSA-N 1 2 324.446 1.939 20 10 DDCDLO C[C@@H]1C[NH+](C2CN(Cc3cc(O)c(O)c(O)c3)C2)C[C@@H](C)O1 ZINC001233016162 886730302 /nfs/dbraw/zinc/73/03/02/886730302.db2.gz ONWXFPWVXPAJQK-GHMZBOCLSA-N 1 2 308.378 1.097 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079474056 353563513 /nfs/dbraw/zinc/56/35/13/353563513.db2.gz IPNVGKCASYELCG-HNNXBMFYSA-N 1 2 313.300 1.821 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079474056 353563514 /nfs/dbraw/zinc/56/35/14/353563514.db2.gz IPNVGKCASYELCG-HNNXBMFYSA-N 1 2 313.300 1.821 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000271181713 407560764 /nfs/dbraw/zinc/56/07/64/407560764.db2.gz LIHSSWBMCIJANC-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000271181713 407560767 /nfs/dbraw/zinc/56/07/67/407560767.db2.gz LIHSSWBMCIJANC-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278253371 409077030 /nfs/dbraw/zinc/07/70/30/409077030.db2.gz PNXPYWRBVKLASL-SNVBAGLBSA-N 1 2 309.322 1.019 20 10 DDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278253371 409077034 /nfs/dbraw/zinc/07/70/34/409077034.db2.gz PNXPYWRBVKLASL-SNVBAGLBSA-N 1 2 309.322 1.019 20 10 DDCDLO CNS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000190304099 222075720 /nfs/dbraw/zinc/07/57/20/222075720.db2.gz MKGCJDSPLXLCTR-UHFFFAOYSA-N 1 2 313.206 1.338 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000273465221 222471535 /nfs/dbraw/zinc/47/15/35/222471535.db2.gz DPHHOWBPLRRAEA-VHSXEESVSA-N 1 2 304.350 1.719 20 10 DDCDLO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(O)c1O ZINC000376172442 418693265 /nfs/dbraw/zinc/69/32/65/418693265.db2.gz MTOMZSRSCQSZQH-STQMWFEESA-N 1 2 320.389 1.341 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000362289332 418752309 /nfs/dbraw/zinc/75/23/09/418752309.db2.gz YMVNRJPWMURJLQ-OAHLLOKOSA-N 1 2 322.380 1.640 20 10 DDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000378445058 418723596 /nfs/dbraw/zinc/72/35/96/418723596.db2.gz RMOUOAQGYKRINX-KRWDZBQOSA-N 1 2 317.433 1.624 20 10 DDCDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000378445058 418723598 /nfs/dbraw/zinc/72/35/98/418723598.db2.gz RMOUOAQGYKRINX-KRWDZBQOSA-N 1 2 317.433 1.624 20 10 DDCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761486 418899268 /nfs/dbraw/zinc/89/92/68/418899268.db2.gz ZHXCRSSWMJWLPX-OLZOCXBDSA-N 1 2 319.357 1.691 20 10 DDCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372761486 418899271 /nfs/dbraw/zinc/89/92/71/418899271.db2.gz ZHXCRSSWMJWLPX-OLZOCXBDSA-N 1 2 319.357 1.691 20 10 DDCDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000058126857 696302450 /nfs/dbraw/zinc/30/24/50/696302450.db2.gz YGROUFKSABIIFC-AWEZNQCLSA-N 1 2 305.422 1.732 20 10 DDCDLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776252468 698088542 /nfs/dbraw/zinc/08/85/42/698088542.db2.gz AKPSVLRWLRZKIP-SNVBAGLBSA-N 1 2 307.774 1.852 20 10 DDCDLO COc1ccc(O)c(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000777801904 698223270 /nfs/dbraw/zinc/22/32/70/698223270.db2.gz LXBMPCMNSWTNSP-UHFFFAOYSA-N 1 2 324.340 1.912 20 10 DDCDLO CN(C)C(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745782 699276552 /nfs/dbraw/zinc/27/65/52/699276552.db2.gz QDLLBXVSACBJFW-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO C[C@@](O)(CO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715789859 699277154 /nfs/dbraw/zinc/27/71/54/699277154.db2.gz SBGNATNBOKFCQP-NSHDSACASA-N 1 2 308.147 1.127 20 10 DDCDLO O=C(Cn1cc[nH+]c1)NCc1cc(Br)ccc1O ZINC000804734358 701210404 /nfs/dbraw/zinc/21/04/04/701210404.db2.gz IVHNSNXSKNBPSS-UHFFFAOYSA-N 1 2 310.151 1.668 20 10 DDCDLO OCCCCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000769396199 701243561 /nfs/dbraw/zinc/24/35/61/701243561.db2.gz XVPQOMBHVASOFG-UHFFFAOYSA-N 1 2 308.378 1.011 20 10 DDCDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000769423015 701244495 /nfs/dbraw/zinc/24/44/95/701244495.db2.gz OIPFJCBFEMYKSV-LLVKDONJSA-N 1 2 301.408 1.656 20 10 DDCDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000769423015 701244496 /nfs/dbraw/zinc/24/44/96/701244496.db2.gz OIPFJCBFEMYKSV-LLVKDONJSA-N 1 2 301.408 1.656 20 10 DDCDLO COc1cccc(O)c1CN1CC[NH+](CCOC(C)C)CC1 ZINC000769468598 701246400 /nfs/dbraw/zinc/24/64/00/701246400.db2.gz MXUYWDGGCYFLCA-UHFFFAOYSA-N 1 2 308.422 1.943 20 10 DDCDLO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(Cl)c1O ZINC000806150379 701428250 /nfs/dbraw/zinc/42/82/50/701428250.db2.gz REESNNKAJBKRQK-ZDUSSCGKSA-N 1 2 312.797 1.945 20 10 DDCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844402375 703027036 /nfs/dbraw/zinc/02/70/36/703027036.db2.gz QCTPJJKYKLFZJQ-CHWSQXEVSA-N 1 2 313.781 1.830 20 10 DDCDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844402375 703027038 /nfs/dbraw/zinc/02/70/38/703027038.db2.gz QCTPJJKYKLFZJQ-CHWSQXEVSA-N 1 2 313.781 1.830 20 10 DDCDLO C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000845929763 703216907 /nfs/dbraw/zinc/21/69/07/703216907.db2.gz FGTSHSGNKFUPBQ-NWDGAFQWSA-N 1 2 303.362 1.993 20 10 DDCDLO C[C@H](CNC(=O)c1cccc(O)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848296154 703537143 /nfs/dbraw/zinc/53/71/43/703537143.db2.gz ZDERLABRPLEZQX-UTUOFQBUSA-N 1 2 308.378 1.325 20 10 DDCDLO C[C@H](CNC(=O)c1cccc(O)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848296154 703537144 /nfs/dbraw/zinc/53/71/44/703537144.db2.gz ZDERLABRPLEZQX-UTUOFQBUSA-N 1 2 308.378 1.325 20 10 DDCDLO Cn1c[nH+]cc1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169492 704080113 /nfs/dbraw/zinc/08/01/13/704080113.db2.gz KNHKEMZRHXAUJM-UHFFFAOYSA-N 1 2 300.318 1.090 20 10 DDCDLO CCOC(=O)C[N@H+](CCC(=O)N(C)OC)Cc1ccccc1O ZINC000823576609 705270850 /nfs/dbraw/zinc/27/08/50/705270850.db2.gz UKARFNSBLFNTJK-UHFFFAOYSA-N 1 2 324.377 1.167 20 10 DDCDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)OC)Cc1ccccc1O ZINC000823576609 705270853 /nfs/dbraw/zinc/27/08/53/705270853.db2.gz UKARFNSBLFNTJK-UHFFFAOYSA-N 1 2 324.377 1.167 20 10 DDCDLO C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1O ZINC000825338604 705648975 /nfs/dbraw/zinc/64/89/75/705648975.db2.gz QZLJOZMZEIQPQF-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1O ZINC000825338604 705648977 /nfs/dbraw/zinc/64/89/77/705648977.db2.gz QZLJOZMZEIQPQF-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)cc(F)c1O ZINC000825337597 705649069 /nfs/dbraw/zinc/64/90/69/705649069.db2.gz HEJRMGJTYNCMJR-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)cc(F)c1O ZINC000825337597 705649073 /nfs/dbraw/zinc/64/90/73/705649073.db2.gz HEJRMGJTYNCMJR-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(C(N)=O)CC2)cc1F ZINC000862237900 705685370 /nfs/dbraw/zinc/68/53/70/705685370.db2.gz YLQXCQFFMFTZIQ-UHFFFAOYSA-N 1 2 312.364 1.617 20 10 DDCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(C(N)=O)CC2)cc1F ZINC000862237900 705685372 /nfs/dbraw/zinc/68/53/72/705685372.db2.gz YLQXCQFFMFTZIQ-UHFFFAOYSA-N 1 2 312.364 1.617 20 10 DDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865027413 706328345 /nfs/dbraw/zinc/32/83/45/706328345.db2.gz ORXQFXNXKIJPSN-HNNXBMFYSA-N 1 2 302.378 1.558 20 10 DDCDLO COCCCOC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839132947 708028959 /nfs/dbraw/zinc/02/89/59/708028959.db2.gz HYLYPNGBKFZTRI-UHFFFAOYSA-N 1 2 320.433 1.761 20 10 DDCDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)c(O)c1OC ZINC000891923783 710329037 /nfs/dbraw/zinc/32/90/37/710329037.db2.gz IEEGNGPXBGNBRP-CYBMUJFWSA-N 1 2 308.378 1.366 20 10 DDCDLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)c(O)c1OC ZINC000891923783 710329040 /nfs/dbraw/zinc/32/90/40/710329040.db2.gz IEEGNGPXBGNBRP-CYBMUJFWSA-N 1 2 308.378 1.366 20 10 DDCDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1O ZINC000691780525 779444838 /nfs/dbraw/zinc/44/48/38/779444838.db2.gz QDRWJMFWNPLONL-UHFFFAOYSA-N 1 2 322.224 1.631 20 10 DDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1O ZINC000691780525 779444842 /nfs/dbraw/zinc/44/48/42/779444842.db2.gz QDRWJMFWNPLONL-UHFFFAOYSA-N 1 2 322.224 1.631 20 10 DDCDLO CN(C)c1ccc(/C=C/C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001119613939 781536724 /nfs/dbraw/zinc/53/67/24/781536724.db2.gz RSGLQFJWFFDVCM-QDLOVBKTSA-N 1 2 314.389 1.774 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001269607982 841813144 /nfs/dbraw/zinc/81/31/44/841813144.db2.gz OTGKDXKNXBTBMF-UHFFFAOYSA-N 1 2 313.357 1.384 20 10 DDCDLO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001276379916 857172630 /nfs/dbraw/zinc/17/26/30/857172630.db2.gz BIMQHBMNWBFIEB-OKILXGFUSA-N 1 2 309.841 1.866 20 10 DDCDLO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001276379916 857172635 /nfs/dbraw/zinc/17/26/35/857172635.db2.gz BIMQHBMNWBFIEB-OKILXGFUSA-N 1 2 309.841 1.866 20 10 DDCDLO CCOc1ccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001328637398 863123245 /nfs/dbraw/zinc/12/32/45/863123245.db2.gz HTVOYWMWQYDVFZ-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO Oc1cc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c(O)cc1Br ZINC001236769224 889344287 /nfs/dbraw/zinc/34/42/87/889344287.db2.gz VIVGFVAIMPACKR-JOYOIKCWSA-N 1 2 320.158 1.765 20 10 DDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233767465 887299893 /nfs/dbraw/zinc/29/98/93/887299893.db2.gz CMAQAMBUUIAMBO-MRVPVSSYSA-N 1 2 304.268 1.611 20 10 DDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233767465 887299907 /nfs/dbraw/zinc/29/99/07/887299907.db2.gz CMAQAMBUUIAMBO-MRVPVSSYSA-N 1 2 304.268 1.611 20 10 DDCDLO Oc1cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)cc1Br ZINC001236769224 889344277 /nfs/dbraw/zinc/34/42/77/889344277.db2.gz VIVGFVAIMPACKR-JOYOIKCWSA-N 1 2 320.158 1.765 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1Cl ZINC001236804405 889365375 /nfs/dbraw/zinc/36/53/75/889365375.db2.gz YUAWDSYGZHPJPM-GHMZBOCLSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1Cl ZINC001236804405 889365383 /nfs/dbraw/zinc/36/53/83/889365383.db2.gz YUAWDSYGZHPJPM-GHMZBOCLSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(O)c(OC)c1 ZINC001237675789 889797029 /nfs/dbraw/zinc/79/70/29/889797029.db2.gz GZCLGBXLACBWNW-UHFFFAOYSA-N 1 2 320.389 1.464 20 10 DDCDLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001262384188 900141781 /nfs/dbraw/zinc/14/17/81/900141781.db2.gz WYHWFXMCFCXIJE-CQSZACIVSA-N 1 2 301.346 1.520 20 10 DDCDLO CCN1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C(C)(C)C1=O ZINC000190027305 285323819 /nfs/dbraw/zinc/32/38/19/285323819.db2.gz XSBGORUUGDGJOG-UHFFFAOYSA-N 1 2 322.405 1.852 20 10 DDCDLO CCN1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C(C)(C)C1=O ZINC000190027305 285323820 /nfs/dbraw/zinc/32/38/20/285323820.db2.gz XSBGORUUGDGJOG-UHFFFAOYSA-N 1 2 322.405 1.852 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1 ZINC000058127072 407218968 /nfs/dbraw/zinc/21/89/68/407218968.db2.gz FWIKGASCSLANIV-UHFFFAOYSA-N 1 2 317.433 1.830 20 10 DDCDLO NC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271343266 407643432 /nfs/dbraw/zinc/64/34/32/407643432.db2.gz OOBAHBGQVHEENW-VIFPVBQESA-N 1 2 304.177 1.942 20 10 DDCDLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271343266 407643439 /nfs/dbraw/zinc/64/34/39/407643439.db2.gz OOBAHBGQVHEENW-VIFPVBQESA-N 1 2 304.177 1.942 20 10 DDCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000294771162 409303613 /nfs/dbraw/zinc/30/36/13/409303613.db2.gz AXDJFZNCIQSNQR-SECBINFHSA-N 1 2 307.774 1.804 20 10 DDCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000294771162 409303615 /nfs/dbraw/zinc/30/36/15/409303615.db2.gz AXDJFZNCIQSNQR-SECBINFHSA-N 1 2 307.774 1.804 20 10 DDCDLO C[C@@H](O)c1cn(C2C[NH+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000374826106 418567250 /nfs/dbraw/zinc/56/72/50/418567250.db2.gz ZBNZUAGIWPVJBX-SECBINFHSA-N 1 2 308.769 1.747 20 10 DDCDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000361069259 418577613 /nfs/dbraw/zinc/57/76/13/418577613.db2.gz SIXJICIPJYFWNN-GFCCVEGCSA-N 1 2 316.398 1.433 20 10 DDCDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000361069259 418577616 /nfs/dbraw/zinc/57/76/16/418577616.db2.gz SIXJICIPJYFWNN-GFCCVEGCSA-N 1 2 316.398 1.433 20 10 DDCDLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1O ZINC000378500333 418724134 /nfs/dbraw/zinc/72/41/34/418724134.db2.gz RBPXYUJGVDSILI-OAHLLOKOSA-N 1 2 300.333 1.944 20 10 DDCDLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1O ZINC000378500333 418724135 /nfs/dbraw/zinc/72/41/35/418724135.db2.gz RBPXYUJGVDSILI-OAHLLOKOSA-N 1 2 300.333 1.944 20 10 DDCDLO Nc1cc2c(nn1)CC[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000365268498 418847834 /nfs/dbraw/zinc/84/78/34/418847834.db2.gz PQQRGRHSELHEGM-UHFFFAOYSA-N 1 2 308.744 2.115 20 10 DDCDLO Nc1cc2c(nn1)CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000365268498 418847836 /nfs/dbraw/zinc/84/78/36/418847836.db2.gz PQQRGRHSELHEGM-UHFFFAOYSA-N 1 2 308.744 2.115 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000363321719 277106152 /nfs/dbraw/zinc/10/61/52/277106152.db2.gz UYYJNXWKAPXWRE-AWEZNQCLSA-N 1 2 308.353 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000363321719 277106154 /nfs/dbraw/zinc/10/61/54/277106154.db2.gz UYYJNXWKAPXWRE-AWEZNQCLSA-N 1 2 308.353 1.834 20 10 DDCDLO CC(C)(O)c1cn(C2C[NH+](Cc3cc(F)ccc3O)C2)nn1 ZINC000371563471 519372545 /nfs/dbraw/zinc/37/25/45/519372545.db2.gz YCXSGSSPDRKPOT-UHFFFAOYSA-N 1 2 306.341 1.407 20 10 DDCDLO COCCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000266249454 522094288 /nfs/dbraw/zinc/09/42/88/522094288.db2.gz ZYALQMQUOGXCOG-UHFFFAOYSA-N 1 2 306.322 1.433 20 10 DDCDLO Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(O)c1O ZINC000182387856 526209383 /nfs/dbraw/zinc/20/93/83/526209383.db2.gz QEQGTFNQDMJDQK-VXGBXAGGSA-N 1 2 308.378 1.245 20 10 DDCDLO Cc1[nH]c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c[nH+]1 ZINC000264867071 526651019 /nfs/dbraw/zinc/65/10/19/526651019.db2.gz QMQZXSFVZFVCAC-UHFFFAOYSA-N 1 2 318.352 1.624 20 10 DDCDLO O=C1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1 ZINC000182949966 527004574 /nfs/dbraw/zinc/00/45/74/527004574.db2.gz AQWOPSKBZVKBJJ-UHFFFAOYSA-N 1 2 312.369 1.903 20 10 DDCDLO O=C1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1 ZINC000182949966 527004578 /nfs/dbraw/zinc/00/45/78/527004578.db2.gz AQWOPSKBZVKBJJ-UHFFFAOYSA-N 1 2 312.369 1.903 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)n1 ZINC000364237048 527105276 /nfs/dbraw/zinc/10/52/76/527105276.db2.gz XXVPFFMSCJLUJY-SNVBAGLBSA-N 1 2 322.752 1.865 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)n1 ZINC000364237048 527105280 /nfs/dbraw/zinc/10/52/80/527105280.db2.gz XXVPFFMSCJLUJY-SNVBAGLBSA-N 1 2 322.752 1.865 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCCn2cc[nH+]c2)c1 ZINC000171409106 697358237 /nfs/dbraw/zinc/35/82/37/697358237.db2.gz UKUUZXFEBQAALS-NSHDSACASA-N 1 2 304.350 1.658 20 10 DDCDLO CNC(=O)Cc1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000177601970 697414156 /nfs/dbraw/zinc/41/41/56/697414156.db2.gz WIIKLHGROWGBDE-UHFFFAOYSA-N 1 2 305.403 1.769 20 10 DDCDLO CNC(=O)Cc1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000177601970 697414159 /nfs/dbraw/zinc/41/41/59/697414159.db2.gz WIIKLHGROWGBDE-UHFFFAOYSA-N 1 2 305.403 1.769 20 10 DDCDLO OCCOCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715787504 699277189 /nfs/dbraw/zinc/27/71/89/699277189.db2.gz DTGKDLXXMRKODM-UHFFFAOYSA-N 1 2 308.147 1.392 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nnnn2C2CC2)c1 ZINC000756730789 700638484 /nfs/dbraw/zinc/63/84/84/700638484.db2.gz BTLPWUUGHBDVRW-SECBINFHSA-N 1 2 317.349 1.351 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000764848216 700988340 /nfs/dbraw/zinc/98/83/40/700988340.db2.gz GSTFINCDGVCRDE-LBPRGKRZSA-N 1 2 301.346 1.216 20 10 DDCDLO C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[N@@H+]1CCO ZINC000816574571 702116748 /nfs/dbraw/zinc/11/67/48/702116748.db2.gz MKQOIRAJAPYGED-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[N@H+]1CCO ZINC000816574571 702116753 /nfs/dbraw/zinc/11/67/53/702116753.db2.gz MKQOIRAJAPYGED-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957720 702293406 /nfs/dbraw/zinc/29/34/06/702293406.db2.gz MQYVEBNKTJGPTQ-LLVKDONJSA-N 1 2 312.797 1.582 20 10 DDCDLO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957720 702293410 /nfs/dbraw/zinc/29/34/10/702293410.db2.gz MQYVEBNKTJGPTQ-LLVKDONJSA-N 1 2 312.797 1.582 20 10 DDCDLO COc1ccc(N2CC[NH+](CC[S@](C)=O)CC2)c(OC)c1 ZINC000879461949 706685995 /nfs/dbraw/zinc/68/59/95/706685995.db2.gz IENCCOMHRFVRRN-NRFANRHFSA-N 1 2 312.435 1.204 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)c(OC)c1 ZINC000879462509 706686455 /nfs/dbraw/zinc/68/64/55/706686455.db2.gz PYQKUHDUQNWMAN-OAHLLOKOSA-N 1 2 319.405 1.104 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433755 702881176 /nfs/dbraw/zinc/88/11/76/702881176.db2.gz JNTCCEHIRIWWAJ-RKDXNWHRSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433755 702881179 /nfs/dbraw/zinc/88/11/79/702881179.db2.gz JNTCCEHIRIWWAJ-RKDXNWHRSA-N 1 2 317.744 1.541 20 10 DDCDLO COc1cccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccn2)c1O ZINC000846168540 703245594 /nfs/dbraw/zinc/24/55/94/703245594.db2.gz AJMLTMGJUNKOIG-HZMBPMFUSA-N 1 2 301.346 1.673 20 10 DDCDLO COc1cccc([C@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848559237 703563035 /nfs/dbraw/zinc/56/30/35/703563035.db2.gz CNVWQYDUBZXRQS-JTQLQIEISA-N 1 2 305.382 1.993 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000858283889 704689757 /nfs/dbraw/zinc/68/97/57/704689757.db2.gz UMRTYJMRPOUUBX-CYBMUJFWSA-N 1 2 307.394 1.221 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000858283889 704689759 /nfs/dbraw/zinc/68/97/59/704689759.db2.gz UMRTYJMRPOUUBX-CYBMUJFWSA-N 1 2 307.394 1.221 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1F ZINC000875180733 705305599 /nfs/dbraw/zinc/30/55/99/705305599.db2.gz UBGRHTKUOXWKNZ-LBPRGKRZSA-N 1 2 317.368 1.512 20 10 DDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834879648 707146001 /nfs/dbraw/zinc/14/60/01/707146001.db2.gz ULVMXYSQDOOZEN-SCZZXKLOSA-N 1 2 322.377 1.649 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877651046 706169936 /nfs/dbraw/zinc/16/99/36/706169936.db2.gz FVUUBIWLXXLWCA-LBPRGKRZSA-N 1 2 313.348 1.100 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877651046 706169939 /nfs/dbraw/zinc/16/99/39/706169939.db2.gz FVUUBIWLXXLWCA-LBPRGKRZSA-N 1 2 313.348 1.100 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCNC(=O)CC23CCC3)c1O ZINC000880170375 706900223 /nfs/dbraw/zinc/90/02/23/706900223.db2.gz PUPZRYVLMCVJTQ-UHFFFAOYSA-N 1 2 320.364 1.979 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000835050210 707162216 /nfs/dbraw/zinc/16/22/16/707162216.db2.gz QBGFEKGJYULYSZ-AWFCHZOYSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000835050210 707162217 /nfs/dbraw/zinc/16/22/17/707162217.db2.gz QBGFEKGJYULYSZ-AWFCHZOYSA-N 1 2 308.447 1.885 20 10 DDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cccc(Cl)c1O ZINC000890759485 709978944 /nfs/dbraw/zinc/97/89/44/709978944.db2.gz LHPNYDNSTIDHQV-DJWKRKHSSA-N 1 2 310.781 1.550 20 10 DDCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000895388538 711500419 /nfs/dbraw/zinc/50/04/19/711500419.db2.gz IVUSFJTXCDMAGM-UHFFFAOYSA-N 1 2 307.304 1.178 20 10 DDCDLO C/C(=C/C(=O)N[C@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000913763822 713297647 /nfs/dbraw/zinc/29/76/47/713297647.db2.gz SIDQIEJDGXASSM-YBEMTRGBSA-N 1 2 304.390 1.848 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCC1 ZINC000930763513 713914334 /nfs/dbraw/zinc/91/43/34/713914334.db2.gz MJMSFWASHPFNQZ-HNNXBMFYSA-N 1 2 323.389 1.033 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCC1 ZINC000930763513 713914335 /nfs/dbraw/zinc/91/43/35/713914335.db2.gz MJMSFWASHPFNQZ-HNNXBMFYSA-N 1 2 323.389 1.033 20 10 DDCDLO COC(OC)C(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000930959531 713968618 /nfs/dbraw/zinc/96/86/18/713968618.db2.gz YJNJVGQCOOILLI-UHFFFAOYSA-N 1 2 321.421 1.016 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC001206232587 777602532 /nfs/dbraw/zinc/60/25/32/777602532.db2.gz LTAZIGAFKBOWMA-VIFPVBQESA-N 1 2 306.322 1.893 20 10 DDCDLO CC[NH+]1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001272445341 846143312 /nfs/dbraw/zinc/14/33/12/846143312.db2.gz JLHTWDMMEUXVDG-UHFFFAOYSA-N 1 2 303.406 1.186 20 10 DDCDLO C[N@H+](Cc1ccc(S(C)(=O)=O)nc1)Cc1ccccc1O ZINC001139636613 860445686 /nfs/dbraw/zinc/44/56/86/860445686.db2.gz OGEPPTMOCYWLJW-UHFFFAOYSA-N 1 2 306.387 1.823 20 10 DDCDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)nc1)Cc1ccccc1O ZINC001139636613 860445688 /nfs/dbraw/zinc/44/56/88/860445688.db2.gz OGEPPTMOCYWLJW-UHFFFAOYSA-N 1 2 306.387 1.823 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C3CC3)CC2)c(OC)c1 ZINC001141028429 860765753 /nfs/dbraw/zinc/76/57/53/860765753.db2.gz OBZFXQAHPBRAIJ-UHFFFAOYSA-N 1 2 320.389 1.464 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC001350309909 875623902 /nfs/dbraw/zinc/62/39/02/875623902.db2.gz NETAIGDLCQUFON-VIFPVBQESA-N 1 2 305.346 1.537 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC001350309909 875623903 /nfs/dbraw/zinc/62/39/03/875623903.db2.gz NETAIGDLCQUFON-VIFPVBQESA-N 1 2 305.346 1.537 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)C(C)C)CC2)c(O)cc1O ZINC001231640867 885779123 /nfs/dbraw/zinc/77/91/23/885779123.db2.gz VJGYXBAGPKYFSL-UHFFFAOYSA-N 1 2 308.378 1.407 20 10 DDCDLO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@]1(O)C(F)(F)F ZINC001233010037 886720520 /nfs/dbraw/zinc/72/05/20/886720520.db2.gz IMJJYJWEWVWJMV-OQPBUACISA-N 1 2 321.295 1.939 20 10 DDCDLO C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@]1(O)C(F)(F)F ZINC001233010037 886720527 /nfs/dbraw/zinc/72/05/27/886720527.db2.gz IMJJYJWEWVWJMV-OQPBUACISA-N 1 2 321.295 1.939 20 10 DDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H](O)CO ZINC001235057667 888379654 /nfs/dbraw/zinc/37/96/54/888379654.db2.gz AKOKEDNPPPDTQB-SECBINFHSA-N 1 2 308.147 1.079 20 10 DDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H](O)CO ZINC001235057667 888379668 /nfs/dbraw/zinc/37/96/68/888379668.db2.gz AKOKEDNPPPDTQB-SECBINFHSA-N 1 2 308.147 1.079 20 10 DDCDLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(CC)cc1O ZINC001236791033 889357587 /nfs/dbraw/zinc/35/75/87/889357587.db2.gz ZEDJAWUEIKLZCE-AWEZNQCLSA-N 1 2 320.389 1.208 20 10 DDCDLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(CC)cc1O ZINC001236791033 889357601 /nfs/dbraw/zinc/35/76/01/889357601.db2.gz ZEDJAWUEIKLZCE-AWEZNQCLSA-N 1 2 320.389 1.208 20 10 DDCDLO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)N1 ZINC000193462758 296358437 /nfs/dbraw/zinc/35/84/37/296358437.db2.gz BFCUYPJXXIGKFQ-AWEZNQCLSA-N 1 2 309.753 1.220 20 10 DDCDLO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)N1 ZINC000193462758 296358439 /nfs/dbraw/zinc/35/84/39/296358439.db2.gz BFCUYPJXXIGKFQ-AWEZNQCLSA-N 1 2 309.753 1.220 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC(F)F)OCO2 ZINC000285145962 131141958 /nfs/dbraw/zinc/14/19/58/131141958.db2.gz OICFJEOBAAZXGW-SNVBAGLBSA-N 1 2 301.289 1.977 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1CC(F)F)OCO2 ZINC000285145962 131141959 /nfs/dbraw/zinc/14/19/59/131141959.db2.gz OICFJEOBAAZXGW-SNVBAGLBSA-N 1 2 301.289 1.977 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171224550 407633274 /nfs/dbraw/zinc/63/32/74/407633274.db2.gz IQMHWJIGMBMMEV-UHFFFAOYSA-N 1 2 321.421 1.644 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171224550 407633282 /nfs/dbraw/zinc/63/32/82/407633282.db2.gz IQMHWJIGMBMMEV-UHFFFAOYSA-N 1 2 321.421 1.644 20 10 DDCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000273911345 408298233 /nfs/dbraw/zinc/29/82/33/408298233.db2.gz HBVKVPJVPSJDEY-LLVKDONJSA-N 1 2 313.375 1.130 20 10 DDCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000273911345 408298239 /nfs/dbraw/zinc/29/82/39/408298239.db2.gz HBVKVPJVPSJDEY-LLVKDONJSA-N 1 2 313.375 1.130 20 10 DDCDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000276581186 408886725 /nfs/dbraw/zinc/88/67/25/408886725.db2.gz LRTMQBXVJUZCRU-ZZXKWVIFSA-N 1 2 312.373 1.576 20 10 DDCDLO COc1c(O)c(C[N@H+](C)CC(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000278209992 409077392 /nfs/dbraw/zinc/07/73/92/409077392.db2.gz KFDTXPQCCOOWTP-UHFFFAOYSA-N 1 2 309.322 1.019 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)CC(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000278209992 409077394 /nfs/dbraw/zinc/07/73/94/409077394.db2.gz KFDTXPQCCOOWTP-UHFFFAOYSA-N 1 2 309.322 1.019 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3nnc(N)cc3C2)c1O ZINC000360346035 411129864 /nfs/dbraw/zinc/12/98/64/411129864.db2.gz RUQQWRKHHMVOLJ-UHFFFAOYSA-N 1 2 320.780 1.985 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCc3nnc(N)cc3C2)c1O ZINC000360346035 411129867 /nfs/dbraw/zinc/12/98/67/411129867.db2.gz RUQQWRKHHMVOLJ-UHFFFAOYSA-N 1 2 320.780 1.985 20 10 DDCDLO COCCN1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000373732825 418453405 /nfs/dbraw/zinc/45/34/05/418453405.db2.gz HXLKEEONWKALPE-UHFFFAOYSA-N 1 2 323.412 1.572 20 10 DDCDLO COCCN1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000373732825 418453407 /nfs/dbraw/zinc/45/34/07/418453407.db2.gz HXLKEEONWKALPE-UHFFFAOYSA-N 1 2 323.412 1.572 20 10 DDCDLO CNS(=O)(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000370568154 418746193 /nfs/dbraw/zinc/74/61/93/418746193.db2.gz KFMXEDSOHPOVPD-UHFFFAOYSA-N 1 2 313.423 1.060 20 10 DDCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368626893 418722887 /nfs/dbraw/zinc/72/28/87/418722887.db2.gz VFVCUJWFNUTVSL-AWEZNQCLSA-N 1 2 309.360 1.900 20 10 DDCDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000052636334 500577347 /nfs/dbraw/zinc/57/73/47/500577347.db2.gz QODWSYVNUPOTPO-AWEZNQCLSA-N 1 2 303.406 1.508 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000189396121 518282732 /nfs/dbraw/zinc/28/27/32/518282732.db2.gz QQUGKGLQIGGWIN-LLVKDONJSA-N 1 2 310.369 1.232 20 10 DDCDLO CCN(CC)C(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179892893 520481533 /nfs/dbraw/zinc/48/15/33/520481533.db2.gz ZWWKKJLOSKWZMP-UHFFFAOYSA-N 1 2 323.412 1.517 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000156411959 524750350 /nfs/dbraw/zinc/75/03/50/524750350.db2.gz ZQFLSQIHTSXEHQ-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO C[C@@H](c1nnnn1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000188639098 526186737 /nfs/dbraw/zinc/18/67/37/526186737.db2.gz UTMCSSVOXLUMDF-ZDUSSCGKSA-N 1 2 316.409 1.240 20 10 DDCDLO C[C@@H](c1nnnn1C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000188639098 526186744 /nfs/dbraw/zinc/18/67/44/526186744.db2.gz UTMCSSVOXLUMDF-ZDUSSCGKSA-N 1 2 316.409 1.240 20 10 DDCDLO Nc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000366327882 527476951 /nfs/dbraw/zinc/47/69/51/527476951.db2.gz UIDUPKYGWDNLKJ-UHFFFAOYSA-N 1 2 307.357 1.708 20 10 DDCDLO C[C@@](O)(CO)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098989 699248523 /nfs/dbraw/zinc/24/85/23/699248523.db2.gz OAOXFUFJEUFQGC-NSHDSACASA-N 1 2 324.602 1.641 20 10 DDCDLO CO[C@](C)(CO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715720768 699276887 /nfs/dbraw/zinc/27/68/87/699276887.db2.gz KLPIDTOTLBRZFT-LBPRGKRZSA-N 1 2 322.174 1.781 20 10 DDCDLO CNC(=O)CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715788904 699277103 /nfs/dbraw/zinc/27/71/03/699277103.db2.gz NHIZANQVBFYSMS-UHFFFAOYSA-N 1 2 319.174 1.910 20 10 DDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000792193705 699681935 /nfs/dbraw/zinc/68/19/35/699681935.db2.gz YOQWUHLKRVVSKR-UHFFFAOYSA-N 1 2 312.732 1.596 20 10 DDCDLO COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000802310434 700394710 /nfs/dbraw/zinc/39/47/10/700394710.db2.gz UFLNTTXDBPGHLZ-VXNVDRBHSA-N 1 2 322.174 1.952 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccccn2)cc1 ZINC000831028175 706623323 /nfs/dbraw/zinc/62/33/23/706623323.db2.gz HEALWZZLABFTLS-UHFFFAOYSA-N 1 2 312.417 1.896 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccccn2)cc1 ZINC000831028175 706623324 /nfs/dbraw/zinc/62/33/24/706623324.db2.gz HEALWZZLABFTLS-UHFFFAOYSA-N 1 2 312.417 1.896 20 10 DDCDLO Oc1c(Br)cccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000824624990 705495706 /nfs/dbraw/zinc/49/57/06/705495706.db2.gz DGAKOPVRYLUYOL-SNVBAGLBSA-N 1 2 302.168 1.348 20 10 DDCDLO Oc1c(Br)cccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000824624990 705495709 /nfs/dbraw/zinc/49/57/09/705495709.db2.gz DGAKOPVRYLUYOL-SNVBAGLBSA-N 1 2 302.168 1.348 20 10 DDCDLO CO[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1O ZINC000825016918 705578339 /nfs/dbraw/zinc/57/83/39/705578339.db2.gz JHPIKQIDLQDVST-GHMZBOCLSA-N 1 2 302.168 1.346 20 10 DDCDLO CO[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1O ZINC000825016918 705578342 /nfs/dbraw/zinc/57/83/42/705578342.db2.gz JHPIKQIDLQDVST-GHMZBOCLSA-N 1 2 302.168 1.346 20 10 DDCDLO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)N1CCOCC1 ZINC000877076708 705977977 /nfs/dbraw/zinc/97/79/77/705977977.db2.gz POFUFJISHAANCK-GFCCVEGCSA-N 1 2 314.332 1.397 20 10 DDCDLO CNC(=O)[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835047603 707162237 /nfs/dbraw/zinc/16/22/37/707162237.db2.gz JHBQGHARJMWJBQ-APHBUQMISA-N 1 2 303.406 1.213 20 10 DDCDLO CNC(=O)[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835047603 707162239 /nfs/dbraw/zinc/16/22/39/707162239.db2.gz JHBQGHARJMWJBQ-APHBUQMISA-N 1 2 303.406 1.213 20 10 DDCDLO COc1ccc(C[NH2+]Cc2nonc2C)cc1Cn1cccn1 ZINC000873196870 707764056 /nfs/dbraw/zinc/76/40/56/707764056.db2.gz SQVFHMVCBCQAPF-UHFFFAOYSA-N 1 2 313.361 1.921 20 10 DDCDLO O=c1cc(N2CC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2)nc[nH]1 ZINC000898155168 708559448 /nfs/dbraw/zinc/55/94/48/708559448.db2.gz MIWZMZSZZUSVSL-NSHDSACASA-N 1 2 320.780 1.910 20 10 DDCDLO COc1ccc(O)c(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c1 ZINC000901130407 709938359 /nfs/dbraw/zinc/93/83/59/709938359.db2.gz IAMDSZMOWHQVFN-LCYFTJDESA-N 1 2 320.389 1.296 20 10 DDCDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894025329 710933361 /nfs/dbraw/zinc/93/33/61/710933361.db2.gz CULKLONUIDSMRX-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894025329 710933363 /nfs/dbraw/zinc/93/33/63/710933363.db2.gz CULKLONUIDSMRX-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@H]12 ZINC000894840652 711292500 /nfs/dbraw/zinc/29/25/00/711292500.db2.gz WRAXMTNYTAVQLQ-URLYPYJESA-N 1 2 316.170 1.964 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090007 711405311 /nfs/dbraw/zinc/40/53/11/711405311.db2.gz QSYDEALYKVODEZ-GXSJLCMTSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090007 711405313 /nfs/dbraw/zinc/40/53/13/711405313.db2.gz QSYDEALYKVODEZ-GXSJLCMTSA-N 1 2 301.289 1.026 20 10 DDCDLO COc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cc1OC ZINC000895117698 711421669 /nfs/dbraw/zinc/42/16/69/711421669.db2.gz CDXFCLZYDCAONE-GARJFASQSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cc1OC ZINC000895117698 711421671 /nfs/dbraw/zinc/42/16/71/711421671.db2.gz CDXFCLZYDCAONE-GARJFASQSA-N 1 2 308.378 1.507 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCCOCC1 ZINC001170770924 771175686 /nfs/dbraw/zinc/17/56/86/771175686.db2.gz LVLOMXQUVWUSAE-STQMWFEESA-N 1 2 309.362 1.341 20 10 DDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1c(O)cccc1O ZINC001178917213 779227635 /nfs/dbraw/zinc/22/76/35/779227635.db2.gz MBHSCHSRLYLAFX-UHFFFAOYSA-N 1 2 301.346 1.490 20 10 DDCDLO C[N@@H+]1CCN(Cc2c(O)cccc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001276354303 855711980 /nfs/dbraw/zinc/71/19/80/855711980.db2.gz PWTDQVASBAXGJP-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO C[N@H+]1CCN(Cc2c(O)cccc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001276354303 855711986 /nfs/dbraw/zinc/71/19/86/855711986.db2.gz PWTDQVASBAXGJP-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@H+](Cc2c(O)cccc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001276354303 855711991 /nfs/dbraw/zinc/71/19/91/855711991.db2.gz PWTDQVASBAXGJP-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@@H+](Cc2c(O)cccc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001276354303 855711994 /nfs/dbraw/zinc/71/19/94/855711994.db2.gz PWTDQVASBAXGJP-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001139127593 860299469 /nfs/dbraw/zinc/29/94/69/860299469.db2.gz YOMFHPQYXHQLFK-VXGBXAGGSA-N 1 2 321.348 1.959 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001139127593 860299472 /nfs/dbraw/zinc/29/94/72/860299472.db2.gz YOMFHPQYXHQLFK-VXGBXAGGSA-N 1 2 321.348 1.959 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCC(=O)N(C)C ZINC001139131055 860300822 /nfs/dbraw/zinc/30/08/22/860300822.db2.gz MTBPBLNSUPOKFI-UHFFFAOYSA-N 1 2 318.373 1.717 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCC(=O)N(C)C ZINC001139131055 860300831 /nfs/dbraw/zinc/30/08/31/860300831.db2.gz MTBPBLNSUPOKFI-UHFFFAOYSA-N 1 2 318.373 1.717 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001140747678 860691036 /nfs/dbraw/zinc/69/10/36/860691036.db2.gz FMLIPLFOMBACCX-BTTYYORXSA-N 1 2 321.373 1.559 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(O)c(C)c1O ZINC001140747678 860691039 /nfs/dbraw/zinc/69/10/39/860691039.db2.gz FMLIPLFOMBACCX-BTTYYORXSA-N 1 2 321.373 1.559 20 10 DDCDLO CCOc1ccc(N2CC[NH+]([C@H]3CCN(OC)C3=O)CC2)cc1 ZINC001334625426 867716387 /nfs/dbraw/zinc/71/63/87/867716387.db2.gz IXVYWKOEVGLNTH-INIZCTEOSA-N 1 2 319.405 1.370 20 10 DDCDLO O=C1N(c2ccccc2)CC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203880861 870816654 /nfs/dbraw/zinc/81/66/54/870816654.db2.gz BQBWFUTTZKOXKK-UHFFFAOYSA-N 1 2 310.353 1.947 20 10 DDCDLO Cc1cc(C[N@@H+]2CCc3onc(C(N)=O)c3C2)ccc1N(C)C ZINC001276929291 881138305 /nfs/dbraw/zinc/13/83/05/881138305.db2.gz RUYGJSWXJFJHDI-UHFFFAOYSA-N 1 2 314.389 1.706 20 10 DDCDLO Cc1cc(C[N@H+]2CCc3onc(C(N)=O)c3C2)ccc1N(C)C ZINC001276929291 881138317 /nfs/dbraw/zinc/13/83/17/881138317.db2.gz RUYGJSWXJFJHDI-UHFFFAOYSA-N 1 2 314.389 1.706 20 10 DDCDLO O=C(NCC1COC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277484786 885195256 /nfs/dbraw/zinc/19/52/56/885195256.db2.gz SYYLHOSJOXNLNT-YVEFUNNKSA-N 1 2 320.364 1.258 20 10 DDCDLO O=C(NCC1COC1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277484786 885195264 /nfs/dbraw/zinc/19/52/64/885195264.db2.gz SYYLHOSJOXNLNT-YVEFUNNKSA-N 1 2 320.364 1.258 20 10 DDCDLO OCC1C[NH+](Cc2ccc(I)cc2O)C1 ZINC001232978736 886705223 /nfs/dbraw/zinc/70/52/23/886705223.db2.gz METWSCKRJOTJPD-UHFFFAOYSA-N 1 2 319.142 1.421 20 10 DDCDLO C[NH+](C)Cc1nc(CNC(=O)/C=C\c2ccc(O)c(O)c2)co1 ZINC001263955774 900839635 /nfs/dbraw/zinc/83/96/35/900839635.db2.gz DAEIQAYLZNHITA-XQRVVYSFSA-N 1 2 317.345 1.477 20 10 DDCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@@H]2N1 ZINC000092703454 407190801 /nfs/dbraw/zinc/19/08/01/407190801.db2.gz JDBPMICYTAUWHX-RYUDHWBXSA-N 1 2 304.346 1.364 20 10 DDCDLO O=C1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@@H]2N1 ZINC000092703454 407190803 /nfs/dbraw/zinc/19/08/03/407190803.db2.gz JDBPMICYTAUWHX-RYUDHWBXSA-N 1 2 304.346 1.364 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106380202 407359608 /nfs/dbraw/zinc/35/96/08/407359608.db2.gz DTGDQQWOPBVLCQ-AWEZNQCLSA-N 1 2 307.350 1.253 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271167116 407549470 /nfs/dbraw/zinc/54/94/70/407549470.db2.gz GGAMOOTZMYSEDY-AWEZNQCLSA-N 1 2 309.385 1.229 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271167116 407549473 /nfs/dbraw/zinc/54/94/73/407549473.db2.gz GGAMOOTZMYSEDY-AWEZNQCLSA-N 1 2 309.385 1.229 20 10 DDCDLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271343264 407645275 /nfs/dbraw/zinc/64/52/75/407645275.db2.gz OOBAHBGQVHEENW-SECBINFHSA-N 1 2 304.177 1.942 20 10 DDCDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271343264 407645281 /nfs/dbraw/zinc/64/52/81/407645281.db2.gz OOBAHBGQVHEENW-SECBINFHSA-N 1 2 304.177 1.942 20 10 DDCDLO CNC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293505773 409127183 /nfs/dbraw/zinc/12/71/83/409127183.db2.gz BULFTALQAPDUKV-GFCCVEGCSA-N 1 2 302.733 1.132 20 10 DDCDLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293505773 409127188 /nfs/dbraw/zinc/12/71/88/409127188.db2.gz BULFTALQAPDUKV-GFCCVEGCSA-N 1 2 302.733 1.132 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2cccc(F)c2O)n1 ZINC000373493976 418434122 /nfs/dbraw/zinc/43/41/22/418434122.db2.gz JNJIWSNTKSRZAC-CMPLNLGQSA-N 1 2 307.325 1.785 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2cccc(F)c2O)n1 ZINC000373493976 418434124 /nfs/dbraw/zinc/43/41/24/418434124.db2.gz JNJIWSNTKSRZAC-CMPLNLGQSA-N 1 2 307.325 1.785 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684083 418713486 /nfs/dbraw/zinc/71/34/86/418713486.db2.gz VHUUYIHVJWYMOA-OLUVUFQESA-N 1 2 319.361 1.961 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@H+]2C[C@@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684083 418713489 /nfs/dbraw/zinc/71/34/89/418713489.db2.gz VHUUYIHVJWYMOA-OLUVUFQESA-N 1 2 319.361 1.961 20 10 DDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CNC(C)=O)CC2)cc1 ZINC000363446387 418766261 /nfs/dbraw/zinc/76/62/61/418766261.db2.gz JZAHCOMDAXHZNZ-UHFFFAOYSA-N 1 2 319.405 1.259 20 10 DDCDLO COC(=O)[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](C)O ZINC000372772116 418900828 /nfs/dbraw/zinc/90/08/28/418900828.db2.gz JDKUEYVJSDRCCW-BLLLJJGKSA-N 1 2 322.405 1.176 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529644783 421549156 /nfs/dbraw/zinc/54/91/56/421549156.db2.gz XPEZJCXXQIWQDT-GFCCVEGCSA-N 1 2 313.785 1.175 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529644783 421549158 /nfs/dbraw/zinc/54/91/58/421549158.db2.gz XPEZJCXXQIWQDT-GFCCVEGCSA-N 1 2 313.785 1.175 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1OC ZINC000180043048 522771449 /nfs/dbraw/zinc/77/14/49/522771449.db2.gz BENFSIDXBKFZLS-OAHLLOKOSA-N 1 2 308.378 1.366 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1OC ZINC000180043048 522771462 /nfs/dbraw/zinc/77/14/62/522771462.db2.gz BENFSIDXBKFZLS-OAHLLOKOSA-N 1 2 308.378 1.366 20 10 DDCDLO Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(O)c1O ZINC000182387896 526209450 /nfs/dbraw/zinc/20/94/50/526209450.db2.gz QEQGTFNQDMJDQK-NEPJUHHUSA-N 1 2 308.378 1.245 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775697298 698023887 /nfs/dbraw/zinc/02/38/87/698023887.db2.gz YOEVJOORWBPEPC-SNVBAGLBSA-N 1 2 304.799 1.299 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775697298 698023890 /nfs/dbraw/zinc/02/38/90/698023890.db2.gz YOEVJOORWBPEPC-SNVBAGLBSA-N 1 2 304.799 1.299 20 10 DDCDLO Cn1nncc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715816540 699277354 /nfs/dbraw/zinc/27/73/54/699277354.db2.gz BKGZJFJWMZVITE-UHFFFAOYSA-N 1 2 315.146 1.712 20 10 DDCDLO COc1ccc(O)c(CNC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000734065643 699635644 /nfs/dbraw/zinc/63/56/44/699635644.db2.gz GCIHDZWRUSGVJT-UHFFFAOYSA-N 1 2 318.377 1.877 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2ncccc2O)ccc1[N+](=O)[O-] ZINC000793255348 699744003 /nfs/dbraw/zinc/74/40/03/699744003.db2.gz HJRJMSOMZZBLMR-UHFFFAOYSA-N 1 2 305.290 1.699 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435284 702881377 /nfs/dbraw/zinc/88/13/77/702881377.db2.gz RYBTUTFJIUARMR-GXSJLCMTSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843435284 702881379 /nfs/dbraw/zinc/88/13/79/702881379.db2.gz RYBTUTFJIUARMR-GXSJLCMTSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862475614 705721199 /nfs/dbraw/zinc/72/11/99/705721199.db2.gz QMJJVLWFWVJSRY-AWEZNQCLSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862475614 705721203 /nfs/dbraw/zinc/72/12/03/705721203.db2.gz QMJJVLWFWVJSRY-AWEZNQCLSA-N 1 2 317.744 1.949 20 10 DDCDLO Cc1cccc(O)c1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000877121913 705990274 /nfs/dbraw/zinc/99/02/74/705990274.db2.gz AWLQCYQTPXYQFF-UHFFFAOYSA-N 1 2 316.405 1.841 20 10 DDCDLO O=c1[nH]c(C[NH2+]Cc2c(O)cccc2Cl)nc2c1COCC2 ZINC000865866090 706547485 /nfs/dbraw/zinc/54/74/85/706547485.db2.gz DVTSHOAVSOQTII-UHFFFAOYSA-N 1 2 321.764 1.904 20 10 DDCDLO Cn1nc(Br)nc1C[NH2+]Cc1c(O)cccc1F ZINC000896640413 708105350 /nfs/dbraw/zinc/10/53/50/708105350.db2.gz IDOBGRYJFBIQKO-UHFFFAOYSA-N 1 2 315.146 1.712 20 10 DDCDLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(O)c(O)c2)c[nH+]1 ZINC000897069274 708222587 /nfs/dbraw/zinc/22/25/87/708222587.db2.gz URUWLYPPFLHECO-UHFFFAOYSA-N 1 2 303.362 1.697 20 10 DDCDLO COc1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)c(O)c1 ZINC000897628420 708400535 /nfs/dbraw/zinc/40/05/35/708400535.db2.gz CIYPNJAIXUJZRA-UHFFFAOYSA-N 1 2 303.362 1.957 20 10 DDCDLO COC(=O)c1cc(C2C[NH+](Cc3ccc(F)c(F)c3O)C2)[nH]n1 ZINC000898001863 708516037 /nfs/dbraw/zinc/51/60/37/708516037.db2.gz KFGKJYIWANJJCS-UHFFFAOYSA-N 1 2 323.299 1.780 20 10 DDCDLO O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000898192501 708570192 /nfs/dbraw/zinc/57/01/92/708570192.db2.gz KFPUKUSRTYMCDA-HOCLYGCPSA-N 1 2 312.360 1.567 20 10 DDCDLO O[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000898192501 708570194 /nfs/dbraw/zinc/57/01/94/708570194.db2.gz KFPUKUSRTYMCDA-HOCLYGCPSA-N 1 2 312.360 1.567 20 10 DDCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@H](C)CS(C)(=O)=O ZINC000894027707 710934626 /nfs/dbraw/zinc/93/46/26/710934626.db2.gz UOWRYFBPIPTOST-SECBINFHSA-N 1 2 307.362 1.925 20 10 DDCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H](C)CS(C)(=O)=O ZINC000894027707 710934628 /nfs/dbraw/zinc/93/46/28/710934628.db2.gz UOWRYFBPIPTOST-SECBINFHSA-N 1 2 307.362 1.925 20 10 DDCDLO COCCCOC1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894825985 711286753 /nfs/dbraw/zinc/28/67/53/711286753.db2.gz SXVBBTLKXWZWKJ-UHFFFAOYSA-N 1 2 311.378 1.647 20 10 DDCDLO COc1cc(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)cc(O)c1O ZINC001204346472 743673115 /nfs/dbraw/zinc/67/31/15/743673115.db2.gz QWZVZBANPGWNNZ-UHFFFAOYSA-N 1 2 322.405 1.401 20 10 DDCDLO COc1cc(CN2CC([N@H+]3CCOC(C)(C)C3)C2)cc(O)c1O ZINC001204346472 743673118 /nfs/dbraw/zinc/67/31/18/743673118.db2.gz QWZVZBANPGWNNZ-UHFFFAOYSA-N 1 2 322.405 1.401 20 10 DDCDLO CN(c1ccc[nH+]c1N)S(=O)(=O)CCc1ccc(N)cc1 ZINC001212401661 751896487 /nfs/dbraw/zinc/89/64/87/751896487.db2.gz DOHCMVQYYYOBDX-UHFFFAOYSA-N 1 2 306.391 1.255 20 10 DDCDLO CCOCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172406982 776769378 /nfs/dbraw/zinc/76/93/78/776769378.db2.gz RHWHEBRFIQNETE-YPMHNXCESA-N 1 2 311.378 1.587 20 10 DDCDLO CC(C)[NH+]1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001273924701 851512122 /nfs/dbraw/zinc/51/21/22/851512122.db2.gz MFTGVKIWNDRFQB-UHFFFAOYSA-N 1 2 317.433 1.574 20 10 DDCDLO CCOc1ccc(N2CC[NH+](Cc3nccnc3N)CC2)cc1 ZINC001140014469 860549335 /nfs/dbraw/zinc/54/93/35/860549335.db2.gz UEHLDIUTDCEEFW-UHFFFAOYSA-N 1 2 313.405 1.780 20 10 DDCDLO C[NH2+][C@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328676241 863142524 /nfs/dbraw/zinc/14/25/24/863142524.db2.gz AUGKCQNSXWPGLS-CQSZACIVSA-N 1 2 308.445 1.665 20 10 DDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1c(O)cccc1F ZINC001332285870 865728970 /nfs/dbraw/zinc/72/89/70/865728970.db2.gz VVBSFYCUKHECCK-LLVKDONJSA-N 1 2 311.357 1.051 20 10 DDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1c(O)cccc1F ZINC001332285870 865728978 /nfs/dbraw/zinc/72/89/78/865728978.db2.gz VVBSFYCUKHECCK-LLVKDONJSA-N 1 2 311.357 1.051 20 10 DDCDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(N)cc2)CCO1 ZINC001337014966 869263637 /nfs/dbraw/zinc/26/36/37/869263637.db2.gz GTIYTYDFGJSQQW-UHFFFAOYSA-N 1 2 306.410 1.179 20 10 DDCDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(N)cc2)CCO1 ZINC001337014966 869263648 /nfs/dbraw/zinc/26/36/48/869263648.db2.gz GTIYTYDFGJSQQW-UHFFFAOYSA-N 1 2 306.410 1.179 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(OC)ccc1O ZINC001203678290 870708844 /nfs/dbraw/zinc/70/88/44/870708844.db2.gz JUUARFRVVGKGSS-DEZZGGKRSA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(OC)ccc1O ZINC001203678290 870708847 /nfs/dbraw/zinc/70/88/47/870708847.db2.gz JUUARFRVVGKGSS-DEZZGGKRSA-N 1 2 321.373 1.553 20 10 DDCDLO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1)NC1CC1 ZINC001308662868 871518463 /nfs/dbraw/zinc/51/84/63/871518463.db2.gz NHJFRHTVOWDDAV-UHFFFAOYSA-N 1 2 323.824 1.442 20 10 DDCDLO Oc1c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cccc1C(F)(F)F ZINC001233416821 886983865 /nfs/dbraw/zinc/98/38/65/886983865.db2.gz XTKZDCMWXZKBBY-LBPRGKRZSA-N 1 2 316.323 1.927 20 10 DDCDLO Oc1c(C[N@H+]2CCN3CCOC[C@@H]3C2)cccc1C(F)(F)F ZINC001233416821 886983876 /nfs/dbraw/zinc/98/38/76/886983876.db2.gz XTKZDCMWXZKBBY-LBPRGKRZSA-N 1 2 316.323 1.927 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C3COC3)CC2)c(Cl)c1 ZINC001236799708 889360999 /nfs/dbraw/zinc/36/09/99/889360999.db2.gz WNPPRMHPEYAYDJ-UHFFFAOYSA-N 1 2 312.797 1.571 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC[C@@H]1O ZINC001237078703 889497744 /nfs/dbraw/zinc/49/77/44/889497744.db2.gz WOIRZTGHRDEORH-KWQFWETISA-N 1 2 306.189 1.874 20 10 DDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249245071 893891459 /nfs/dbraw/zinc/89/14/59/893891459.db2.gz WDWPXRWZPHMWEU-LLVKDONJSA-N 1 2 302.374 1.897 20 10 DDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249245071 893891481 /nfs/dbraw/zinc/89/14/81/893891481.db2.gz WDWPXRWZPHMWEU-LLVKDONJSA-N 1 2 302.374 1.897 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC001263150975 900517180 /nfs/dbraw/zinc/51/71/80/900517180.db2.gz PQXHPWLULUHGIS-CYBMUJFWSA-N 1 2 315.364 1.572 20 10 DDCDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000054209675 352683925 /nfs/dbraw/zinc/68/39/25/352683925.db2.gz CPWSSXOFTWSHFK-AWEZNQCLSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000054209675 352683928 /nfs/dbraw/zinc/68/39/28/352683928.db2.gz CPWSSXOFTWSHFK-AWEZNQCLSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000105301152 194095078 /nfs/dbraw/zinc/09/50/78/194095078.db2.gz NMMIOSFULPDZHN-KGLIPLIRSA-N 1 2 321.421 1.643 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCC3)c1 ZINC000273431247 130120244 /nfs/dbraw/zinc/12/02/44/130120244.db2.gz VUWSJJYGAUHFDZ-JTQLQIEISA-N 1 2 316.361 1.567 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093103351 407194465 /nfs/dbraw/zinc/19/44/65/407194465.db2.gz IGYYBJFXRQYCHI-CVEARBPZSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093103351 407194468 /nfs/dbraw/zinc/19/44/68/407194468.db2.gz IGYYBJFXRQYCHI-CVEARBPZSA-N 1 2 306.406 1.641 20 10 DDCDLO Cc1cccc(C[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000179607163 407812877 /nfs/dbraw/zinc/81/28/77/407812877.db2.gz JOZGGWBQYFRRMP-OAHLLOKOSA-N 1 2 324.446 1.005 20 10 DDCDLO COc1cccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1O ZINC000153999352 407948347 /nfs/dbraw/zinc/94/83/47/407948347.db2.gz LYVRJZLKIGYEOD-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000136026315 408068987 /nfs/dbraw/zinc/06/89/87/408068987.db2.gz LTFKSVUZYIUVFW-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000120272346 408126056 /nfs/dbraw/zinc/12/60/56/408126056.db2.gz AVAKVPJHACRFJM-UHFFFAOYSA-N 1 2 318.417 1.996 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccnc(OC)n3)CC2)cc1 ZINC000294624224 409295335 /nfs/dbraw/zinc/29/53/35/409295335.db2.gz YXZBEXUWQMNLOV-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(Cl)c(F)cc1O ZINC000295214106 409379499 /nfs/dbraw/zinc/37/94/99/409379499.db2.gz AXMNLYGJXAEFQV-UHFFFAOYSA-N 1 2 305.733 1.806 20 10 DDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(Cl)c(F)cc1O ZINC000295214106 409379506 /nfs/dbraw/zinc/37/95/06/409379506.db2.gz AXMNLYGJXAEFQV-UHFFFAOYSA-N 1 2 305.733 1.806 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000362240509 418751228 /nfs/dbraw/zinc/75/12/28/418751228.db2.gz UYOVVUDEPPGXEK-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000362240509 418751231 /nfs/dbraw/zinc/75/12/31/418751231.db2.gz UYOVVUDEPPGXEK-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000371529777 418797282 /nfs/dbraw/zinc/79/72/82/418797282.db2.gz VBHKKWFNMRHYDL-UONOGXRCSA-N 1 2 309.362 1.553 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(OC)ccc1O ZINC000371529777 418797283 /nfs/dbraw/zinc/79/72/83/418797283.db2.gz VBHKKWFNMRHYDL-UONOGXRCSA-N 1 2 309.362 1.553 20 10 DDCDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000365466967 418864936 /nfs/dbraw/zinc/86/49/36/418864936.db2.gz ZGUAEYOVDONXNJ-LLVKDONJSA-N 1 2 301.346 1.851 20 10 DDCDLO COC(=O)C[N@H+](CCn1cncn1)Cc1cc(Cl)ccc1O ZINC000264750160 523163789 /nfs/dbraw/zinc/16/37/89/523163789.db2.gz WBKANUDUYZOTFW-UHFFFAOYSA-N 1 2 324.768 1.312 20 10 DDCDLO COC(=O)C[N@@H+](CCn1cncn1)Cc1cc(Cl)ccc1O ZINC000264750160 523163796 /nfs/dbraw/zinc/16/37/96/523163796.db2.gz WBKANUDUYZOTFW-UHFFFAOYSA-N 1 2 324.768 1.312 20 10 DDCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000267081646 523920014 /nfs/dbraw/zinc/92/00/14/523920014.db2.gz KOOPCEHMHFATIC-SECBINFHSA-N 1 2 321.333 1.843 20 10 DDCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000267081646 523920020 /nfs/dbraw/zinc/92/00/20/523920020.db2.gz KOOPCEHMHFATIC-SECBINFHSA-N 1 2 321.333 1.843 20 10 DDCDLO COCCc1noc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000182368897 697474282 /nfs/dbraw/zinc/47/42/82/697474282.db2.gz RUHOSPLJIZSEGV-SNVBAGLBSA-N 1 2 307.350 1.824 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@H+](CCO)[C@@H](C)C2)c1O ZINC000187730683 697548998 /nfs/dbraw/zinc/54/89/98/697548998.db2.gz ZRAXJADNZFRZLQ-NSHDSACASA-N 1 2 310.369 1.232 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@@H+](CCO)[C@@H](C)C2)c1O ZINC000187730683 697549000 /nfs/dbraw/zinc/54/90/00/697549000.db2.gz ZRAXJADNZFRZLQ-NSHDSACASA-N 1 2 310.369 1.232 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000783703799 698868657 /nfs/dbraw/zinc/86/86/57/698868657.db2.gz FCECTCOEFUYHGS-ZFWWWQNUSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000783703799 698868661 /nfs/dbraw/zinc/86/86/61/698868661.db2.gz FCECTCOEFUYHGS-ZFWWWQNUSA-N 1 2 309.362 1.289 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000715745933 699276648 /nfs/dbraw/zinc/27/66/48/699276648.db2.gz SAWPYERXKMMUMK-SNVBAGLBSA-N 1 2 320.158 1.799 20 10 DDCDLO C[C@H](O)[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715748045 699276733 /nfs/dbraw/zinc/27/67/33/699276733.db2.gz YQDHHBAJXFYECY-WKEGUHRASA-N 1 2 308.147 1.125 20 10 DDCDLO NC(=O)CC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000718561678 699294479 /nfs/dbraw/zinc/29/44/79/699294479.db2.gz ZHGUBQYYYCJFAQ-UHFFFAOYSA-N 1 2 313.195 1.898 20 10 DDCDLO CN(C)C(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768199873 701163185 /nfs/dbraw/zinc/16/31/85/701163185.db2.gz KVVYXCZORLZXAU-UHFFFAOYSA-N 1 2 311.813 1.251 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768437717 701176948 /nfs/dbraw/zinc/17/69/48/701176948.db2.gz FDTQZKVUUPMQGP-AWEZNQCLSA-N 1 2 322.361 1.092 20 10 DDCDLO CC[N@H+](Cc1c(O)cccc1OC)[C@H](C)CS(C)(=O)=O ZINC000769428324 701244764 /nfs/dbraw/zinc/24/47/64/701244764.db2.gz YHIGYMNGIOAJCU-LLVKDONJSA-N 1 2 301.408 1.656 20 10 DDCDLO CC[N@@H+](Cc1c(O)cccc1OC)[C@H](C)CS(C)(=O)=O ZINC000769428324 701244766 /nfs/dbraw/zinc/24/47/66/701244766.db2.gz YHIGYMNGIOAJCU-LLVKDONJSA-N 1 2 301.408 1.656 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000858282418 704689397 /nfs/dbraw/zinc/68/93/97/704689397.db2.gz JBBNCBRDIIQGPI-UHFFFAOYSA-N 1 2 321.421 1.611 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000858282418 704689399 /nfs/dbraw/zinc/68/93/99/704689399.db2.gz JBBNCBRDIIQGPI-UHFFFAOYSA-N 1 2 321.421 1.611 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1S(C)(=O)=O ZINC000827270573 705964868 /nfs/dbraw/zinc/96/48/68/705964868.db2.gz BONONQNAAZNPRS-SNVBAGLBSA-N 1 2 318.826 1.511 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1S(C)(=O)=O ZINC000827270573 705964870 /nfs/dbraw/zinc/96/48/70/705964870.db2.gz BONONQNAAZNPRS-SNVBAGLBSA-N 1 2 318.826 1.511 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000828008125 706103030 /nfs/dbraw/zinc/10/30/30/706103030.db2.gz ASJDBJKRDOTPSQ-UHFFFAOYSA-N 1 2 318.333 1.981 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000828008125 706103031 /nfs/dbraw/zinc/10/30/31/706103031.db2.gz ASJDBJKRDOTPSQ-UHFFFAOYSA-N 1 2 318.333 1.981 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1C ZINC000877501599 706124829 /nfs/dbraw/zinc/12/48/29/706124829.db2.gz ROMPTFPOUDSFGN-AWEZNQCLSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1C ZINC000877501599 706124830 /nfs/dbraw/zinc/12/48/30/706124830.db2.gz ROMPTFPOUDSFGN-AWEZNQCLSA-N 1 2 317.433 1.310 20 10 DDCDLO CN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1=O ZINC000877720262 706188528 /nfs/dbraw/zinc/18/85/28/706188528.db2.gz OWNURAGYYNACAW-AOOOYVTPSA-N 1 2 312.728 1.231 20 10 DDCDLO CN1C(=O)[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1=O ZINC000877720262 706188529 /nfs/dbraw/zinc/18/85/29/706188529.db2.gz OWNURAGYYNACAW-AOOOYVTPSA-N 1 2 312.728 1.231 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C)C[C@@H]2CO)c1O ZINC000879003142 706559620 /nfs/dbraw/zinc/55/96/20/706559620.db2.gz VJOMINZLVZXVGQ-CYBMUJFWSA-N 1 2 312.797 1.357 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)C[C@@H]2CO)c1O ZINC000879003142 706559624 /nfs/dbraw/zinc/55/96/24/706559624.db2.gz VJOMINZLVZXVGQ-CYBMUJFWSA-N 1 2 312.797 1.357 20 10 DDCDLO c1cn(Cc2cn(Cc3ccc(N4CCOCC4)cc3)nn2)c[nH+]1 ZINC000900601366 709671688 /nfs/dbraw/zinc/67/16/88/709671688.db2.gz ORFSRSHUDRBRFZ-UHFFFAOYSA-N 1 2 324.388 1.408 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1OC ZINC000892084800 710368741 /nfs/dbraw/zinc/36/87/41/710368741.db2.gz DDHXZUMJTFEKJQ-NNOLRYQLSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1OC ZINC000892084800 710368743 /nfs/dbraw/zinc/36/87/43/710368743.db2.gz DDHXZUMJTFEKJQ-NNOLRYQLSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c(O)c1OC ZINC000893988629 710913299 /nfs/dbraw/zinc/91/32/99/710913299.db2.gz GWGVWIJLNCTZET-QWRGUYRKSA-N 1 2 313.419 1.751 20 10 DDCDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894025503 710934080 /nfs/dbraw/zinc/93/40/80/710934080.db2.gz CJCRZBNZMMFMSV-IUCAKERBSA-N 1 2 307.362 1.924 20 10 DDCDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894025503 710934084 /nfs/dbraw/zinc/93/40/84/710934084.db2.gz CJCRZBNZMMFMSV-IUCAKERBSA-N 1 2 307.362 1.924 20 10 DDCDLO CN(C)C(=O)CN1CCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001275272625 852945615 /nfs/dbraw/zinc/94/56/15/852945615.db2.gz XBIVCZTVSXMAIC-UHFFFAOYSA-N 1 2 323.824 1.394 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661884 860669399 /nfs/dbraw/zinc/66/93/99/860669399.db2.gz WOLBNNDFSFAAES-MRXNPFEDSA-N 1 2 321.396 1.502 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661884 860669402 /nfs/dbraw/zinc/66/94/02/860669402.db2.gz WOLBNNDFSFAAES-MRXNPFEDSA-N 1 2 321.396 1.502 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N3CC[C@H](F)C3)C2)c(OC)c1 ZINC001141029488 860767407 /nfs/dbraw/zinc/76/74/07/860767407.db2.gz UHDJUFDODRZSIB-NSHDSACASA-N 1 2 310.369 1.637 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320990166 867184753 /nfs/dbraw/zinc/18/47/53/867184753.db2.gz YBYHHKQODWXPQQ-HZPDHXFCSA-N 1 2 304.390 1.395 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320990166 867184760 /nfs/dbraw/zinc/18/47/60/867184760.db2.gz YBYHHKQODWXPQQ-HZPDHXFCSA-N 1 2 304.390 1.395 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001231854512 885906520 /nfs/dbraw/zinc/90/65/20/885906520.db2.gz IDFZUQVCUJRBIQ-ZDUSSCGKSA-N 1 2 305.422 1.814 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001231854512 885906525 /nfs/dbraw/zinc/90/65/25/885906525.db2.gz IDFZUQVCUJRBIQ-ZDUSSCGKSA-N 1 2 305.422 1.814 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccc(=O)[nH]n3)CC2)cc1 ZINC001232022855 886012941 /nfs/dbraw/zinc/01/29/41/886012941.db2.gz ZUXBJNFHOPRWEE-UHFFFAOYSA-N 1 2 300.362 1.513 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3ncncn3)CC2)cc1Cl ZINC001232263092 886196379 /nfs/dbraw/zinc/19/63/79/886196379.db2.gz GCYMKGQDQAURBC-UHFFFAOYSA-N 1 2 321.768 1.258 20 10 DDCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014317 886728383 /nfs/dbraw/zinc/72/83/83/886728383.db2.gz OUICWJOEMMSVJA-NSHDSACASA-N 1 2 324.377 1.902 20 10 DDCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014317 886728390 /nfs/dbraw/zinc/72/83/90/886728390.db2.gz OUICWJOEMMSVJA-NSHDSACASA-N 1 2 324.377 1.902 20 10 DDCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233335191 886927881 /nfs/dbraw/zinc/92/78/81/886927881.db2.gz KRJYDSRHTSRQPD-UHFFFAOYSA-N 1 2 309.272 1.430 20 10 DDCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233335191 886927890 /nfs/dbraw/zinc/92/78/90/886927890.db2.gz KRJYDSRHTSRQPD-UHFFFAOYSA-N 1 2 309.272 1.430 20 10 DDCDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486757 887022385 /nfs/dbraw/zinc/02/23/85/887022385.db2.gz ARVMWZJJUMZOEB-UHFFFAOYSA-N 1 2 308.378 1.494 20 10 DDCDLO CCOC(=O)[C@]12CN(Cc3c(O)cccc3F)C[C@H]1C[NH2+]CC2 ZINC001236038876 889072475 /nfs/dbraw/zinc/07/24/75/889072475.db2.gz PNKMTARKOMIXHG-SJKOYZFVSA-N 1 2 322.380 1.506 20 10 DDCDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000297896215 132038782 /nfs/dbraw/zinc/03/87/82/132038782.db2.gz OLNIHXJHBDAFGZ-KBPBESRZSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000297896215 132038784 /nfs/dbraw/zinc/03/87/84/132038784.db2.gz OLNIHXJHBDAFGZ-KBPBESRZSA-N 1 2 305.422 1.478 20 10 DDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(OC)c(OC)cc1O ZINC000271068801 407496092 /nfs/dbraw/zinc/49/60/92/407496092.db2.gz DLMBCZLMNPQEGS-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(OC)c(OC)cc1O ZINC000271068801 407496101 /nfs/dbraw/zinc/49/61/01/407496101.db2.gz DLMBCZLMNPQEGS-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO O=C1C[N@H+](Cc2cccc(NCc3ccccc3O)c2)CCN1 ZINC000291116645 408859936 /nfs/dbraw/zinc/85/99/36/408859936.db2.gz UFFUONXMXKIGHQ-UHFFFAOYSA-N 1 2 311.385 1.936 20 10 DDCDLO O=C1C[N@@H+](Cc2cccc(NCc3ccccc3O)c2)CCN1 ZINC000291116645 408859938 /nfs/dbraw/zinc/85/99/38/408859938.db2.gz UFFUONXMXKIGHQ-UHFFFAOYSA-N 1 2 311.385 1.936 20 10 DDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000367269334 418578369 /nfs/dbraw/zinc/57/83/69/418578369.db2.gz GICXRYCYBCXDQN-KRWDZBQOSA-N 1 2 317.433 1.406 20 10 DDCDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000367269334 418578371 /nfs/dbraw/zinc/57/83/71/418578371.db2.gz GICXRYCYBCXDQN-KRWDZBQOSA-N 1 2 317.433 1.406 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)c(O)c1 ZINC000377833489 418715703 /nfs/dbraw/zinc/71/57/03/418715703.db2.gz DYFUEVLKHDTKAW-CQSZACIVSA-N 1 2 323.389 1.945 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)OC)c(O)c1 ZINC000377833489 418715707 /nfs/dbraw/zinc/71/57/07/418715707.db2.gz DYFUEVLKHDTKAW-CQSZACIVSA-N 1 2 323.389 1.945 20 10 DDCDLO Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(O)c1O ZINC000378546096 418724891 /nfs/dbraw/zinc/72/48/91/418724891.db2.gz DNHQRAJZCLDLMJ-UHFFFAOYSA-N 1 2 315.373 1.912 20 10 DDCDLO CC(C)OC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000372117446 418837165 /nfs/dbraw/zinc/83/71/65/418837165.db2.gz SQESSDDURZVHPM-ZDUSSCGKSA-N 1 2 309.362 1.747 20 10 DDCDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000372117446 418837168 /nfs/dbraw/zinc/83/71/68/418837168.db2.gz SQESSDDURZVHPM-ZDUSSCGKSA-N 1 2 309.362 1.747 20 10 DDCDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCCC1 ZINC000281674207 289994158 /nfs/dbraw/zinc/99/41/58/289994158.db2.gz RBLCRLAJXCRIKA-QWRGUYRKSA-N 1 2 307.350 1.962 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2nc(N(C)C)no2)ccc1[N+](=O)[O-] ZINC000775075955 697960740 /nfs/dbraw/zinc/96/07/40/697960740.db2.gz RSOGHASNZWSHLL-UHFFFAOYSA-N 1 2 323.309 1.048 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)c1 ZINC000779069386 698393823 /nfs/dbraw/zinc/39/38/23/698393823.db2.gz RJJLQKIGNLDPRZ-VIFPVBQESA-N 1 2 318.329 1.722 20 10 DDCDLO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715757358 699276826 /nfs/dbraw/zinc/27/68/26/699276826.db2.gz GDOCTSHOXUWSCI-LURJTMIESA-N 1 2 305.147 1.647 20 10 DDCDLO CCn1ncnc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793344388 699751418 /nfs/dbraw/zinc/75/14/18/699751418.db2.gz SLJDGRIFFPCEGL-UHFFFAOYSA-N 1 2 319.384 1.564 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC(F)F)[C@@H](O)CO2 ZINC000795729554 699887160 /nfs/dbraw/zinc/88/71/60/699887160.db2.gz OREIESCTHSZACH-MFKMUULPSA-N 1 2 315.316 1.674 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1CC(F)F)[C@@H](O)CO2 ZINC000795729554 699887162 /nfs/dbraw/zinc/88/71/62/699887162.db2.gz OREIESCTHSZACH-MFKMUULPSA-N 1 2 315.316 1.674 20 10 DDCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCOC1 ZINC000796012440 699906939 /nfs/dbraw/zinc/90/69/39/699906939.db2.gz YZMIPHYENYKCBG-ONGXEEELSA-N 1 2 303.761 1.919 20 10 DDCDLO Cc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)ccc1N(C)C ZINC000815071641 701793022 /nfs/dbraw/zinc/79/30/22/701793022.db2.gz OLIMKBQFHXIYIQ-QFIPXVFZSA-N 1 2 323.506 1.557 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c(O)c1 ZINC000811502422 701994783 /nfs/dbraw/zinc/99/47/83/701994783.db2.gz SUQAOSOEMMDURL-INIZCTEOSA-N 1 2 305.374 1.971 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c(O)c1 ZINC000811502422 701994787 /nfs/dbraw/zinc/99/47/87/701994787.db2.gz SUQAOSOEMMDURL-INIZCTEOSA-N 1 2 305.374 1.971 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCOCC1 ZINC000868284755 702042793 /nfs/dbraw/zinc/04/27/93/702042793.db2.gz BQTFELFKGZQCQP-MELADBBJSA-N 1 2 321.421 1.862 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(N(C)C)no2)cc1 ZINC000844401362 703026440 /nfs/dbraw/zinc/02/64/40/703026440.db2.gz MPMIFLVWQRUNEW-UHFFFAOYSA-N 1 2 319.409 1.712 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(N(C)C)no2)cc1 ZINC000844401362 703026441 /nfs/dbraw/zinc/02/64/41/703026441.db2.gz MPMIFLVWQRUNEW-UHFFFAOYSA-N 1 2 319.409 1.712 20 10 DDCDLO O[C@@H](CNc1ccccc1OCC(F)F)C[NH+]1CCOCC1 ZINC000819460093 704129618 /nfs/dbraw/zinc/12/96/18/704129618.db2.gz DNEKYVJLNDNCPJ-LBPRGKRZSA-N 1 2 316.348 1.436 20 10 DDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875227973 705322242 /nfs/dbraw/zinc/32/22/42/705322242.db2.gz QHRUKPZAGWOMPM-UHFFFAOYSA-N 1 2 319.405 1.528 20 10 DDCDLO CC1(C)COCC[N@H+]1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875227973 705322247 /nfs/dbraw/zinc/32/22/47/705322247.db2.gz QHRUKPZAGWOMPM-UHFFFAOYSA-N 1 2 319.405 1.528 20 10 DDCDLO Cc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000865469631 706439603 /nfs/dbraw/zinc/43/96/03/706439603.db2.gz QIJGOZUZHVUPDN-LLVKDONJSA-N 1 2 314.393 1.772 20 10 DDCDLO Cc1nc(N)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000865469631 706439604 /nfs/dbraw/zinc/43/96/04/706439604.db2.gz QIJGOZUZHVUPDN-LLVKDONJSA-N 1 2 314.393 1.772 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Cl)ccc1O ZINC000883303957 707972328 /nfs/dbraw/zinc/97/23/28/707972328.db2.gz KCPRMUZCOKOCCX-QMMMGPOBSA-N 1 2 321.768 1.231 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1c(O)cccc1F ZINC000886651396 708806039 /nfs/dbraw/zinc/80/60/39/708806039.db2.gz DBPYSUWHEXHSQJ-SECBINFHSA-N 1 2 317.324 1.124 20 10 DDCDLO O=C(NCc1ccc(O)cc1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000910948328 710127352 /nfs/dbraw/zinc/12/73/52/710127352.db2.gz YMNOSSVLURIAEQ-OAHLLOKOSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C(NCc1ccc(O)cc1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000910948328 710127356 /nfs/dbraw/zinc/12/73/56/710127356.db2.gz YMNOSSVLURIAEQ-OAHLLOKOSA-N 1 2 320.389 1.357 20 10 DDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCNC1=O ZINC000894094380 710964517 /nfs/dbraw/zinc/96/45/17/710964517.db2.gz LKJMSJNXOJKYQC-SNVBAGLBSA-N 1 2 317.158 1.614 20 10 DDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCNC1=O ZINC000894094380 710964521 /nfs/dbraw/zinc/96/45/21/710964521.db2.gz LKJMSJNXOJKYQC-SNVBAGLBSA-N 1 2 317.158 1.614 20 10 DDCDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894939826 711329501 /nfs/dbraw/zinc/32/95/01/711329501.db2.gz JSQSOLRUQJCQBZ-LBPRGKRZSA-N 1 2 313.348 1.906 20 10 DDCDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894939826 711329505 /nfs/dbraw/zinc/32/95/05/711329505.db2.gz JSQSOLRUQJCQBZ-LBPRGKRZSA-N 1 2 313.348 1.906 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccccc1O ZINC000925589407 714893862 /nfs/dbraw/zinc/89/38/62/714893862.db2.gz YKOCPBBXBDMTPF-OAHLLOKOSA-N 1 2 321.421 1.644 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001169239727 762304538 /nfs/dbraw/zinc/30/45/38/762304538.db2.gz MBNMMWUIQQSBGL-CQSZACIVSA-N 1 2 314.341 1.590 20 10 DDCDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589664 773541264 /nfs/dbraw/zinc/54/12/64/773541264.db2.gz GINNERIJEGGZCB-UHFFFAOYSA-N 1 2 323.374 1.498 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172914710 776929001 /nfs/dbraw/zinc/92/90/01/776929001.db2.gz KJQANFMCQJMQQJ-MJBXVCDLSA-N 1 2 323.389 1.729 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC001139684376 780382191 /nfs/dbraw/zinc/38/21/91/780382191.db2.gz UACGJWQIJHTRCY-UHFFFAOYSA-N 1 2 312.360 1.967 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001139127591 860298643 /nfs/dbraw/zinc/29/86/43/860298643.db2.gz YOMFHPQYXHQLFK-NWDGAFQWSA-N 1 2 321.348 1.959 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001139127591 860298651 /nfs/dbraw/zinc/29/86/51/860298651.db2.gz YOMFHPQYXHQLFK-NWDGAFQWSA-N 1 2 321.348 1.959 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001139683800 860451682 /nfs/dbraw/zinc/45/16/82/860451682.db2.gz LZCQDTHRBZWFFI-LBPRGKRZSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)c(O)c1 ZINC001204276038 871034285 /nfs/dbraw/zinc/03/42/85/871034285.db2.gz DZWUDHGGYSABKC-NEPJUHHUSA-N 1 2 309.259 1.935 20 10 DDCDLO Oc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)c(O)c1 ZINC001204276038 871034306 /nfs/dbraw/zinc/03/43/06/871034306.db2.gz DZWUDHGGYSABKC-NEPJUHHUSA-N 1 2 309.259 1.935 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3cccnn3)CC2)cc1Cl ZINC001232269088 886198410 /nfs/dbraw/zinc/19/84/10/886198410.db2.gz VKQDHSBHJRIMJT-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO CNC(=O)CC[N@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235302959 888536849 /nfs/dbraw/zinc/53/68/49/888536849.db2.gz XGSHMLDQSNQNOI-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CNC(=O)CC[N@@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235302959 888536855 /nfs/dbraw/zinc/53/68/55/888536855.db2.gz XGSHMLDQSNQNOI-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235508645 888696730 /nfs/dbraw/zinc/69/67/30/888696730.db2.gz XAQAIYSUJZPJPE-UHFFFAOYSA-N 1 2 302.378 1.163 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235508645 888696736 /nfs/dbraw/zinc/69/67/36/888696736.db2.gz XAQAIYSUJZPJPE-UHFFFAOYSA-N 1 2 302.378 1.163 20 10 DDCDLO Oc1cc(C[NH+]2CC3(CC(O)C3)C2)c(O)cc1Br ZINC001236773155 889346736 /nfs/dbraw/zinc/34/67/36/889346736.db2.gz OMMYHWNCMBGGBI-UHFFFAOYSA-N 1 2 314.179 1.817 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236792107 889356353 /nfs/dbraw/zinc/35/63/53/889356353.db2.gz BUERZWKNXDYLLV-JOYOIKCWSA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236792107 889356364 /nfs/dbraw/zinc/35/63/64/889356364.db2.gz BUERZWKNXDYLLV-JOYOIKCWSA-N 1 2 306.189 1.874 20 10 DDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811317 889368557 /nfs/dbraw/zinc/36/85/57/889368557.db2.gz OORQTKHXPOTWEW-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236811317 889368568 /nfs/dbraw/zinc/36/85/68/889368568.db2.gz OORQTKHXPOTWEW-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO COc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c(O)c1Cl ZINC001236819555 889370967 /nfs/dbraw/zinc/37/09/67/889370967.db2.gz WNEICFUFHDQTEV-UHFFFAOYSA-N 1 2 310.781 1.718 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(F)c1O ZINC001237624101 889765361 /nfs/dbraw/zinc/76/53/61/889765361.db2.gz YGFLQEGJURAQRT-GFCCVEGCSA-N 1 2 316.760 1.474 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(Cl)cc(F)c1O ZINC001237624101 889765374 /nfs/dbraw/zinc/76/53/74/889765374.db2.gz YGFLQEGJURAQRT-GFCCVEGCSA-N 1 2 316.760 1.474 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272559795 130040912 /nfs/dbraw/zinc/04/09/12/130040912.db2.gz SYTOSDSAPSTIFD-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272559795 130040914 /nfs/dbraw/zinc/04/09/14/130040914.db2.gz SYTOSDSAPSTIFD-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000299717847 132116644 /nfs/dbraw/zinc/11/66/44/132116644.db2.gz RTKXNHVHPFZRAD-KRWDZBQOSA-N 1 2 317.433 1.480 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000299717847 132116646 /nfs/dbraw/zinc/11/66/46/132116646.db2.gz RTKXNHVHPFZRAD-KRWDZBQOSA-N 1 2 317.433 1.480 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c1O ZINC000185936311 407544980 /nfs/dbraw/zinc/54/49/80/407544980.db2.gz GZKTUFIMSQTLAR-INIZCTEOSA-N 1 2 308.353 1.964 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)c1O ZINC000185936311 407544985 /nfs/dbraw/zinc/54/49/85/407544985.db2.gz GZKTUFIMSQTLAR-INIZCTEOSA-N 1 2 308.353 1.964 20 10 DDCDLO O=C(CN1CC[NH+](Cc2cccc(Cl)c2O)CC1)NC1CC1 ZINC000179610479 407812750 /nfs/dbraw/zinc/81/27/50/407812750.db2.gz OOVISUVBWILRDE-UHFFFAOYSA-N 1 2 323.824 1.442 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)c1 ZINC000179716881 407827026 /nfs/dbraw/zinc/82/70/26/407827026.db2.gz PVEBOILXKFQRCW-HNNXBMFYSA-N 1 2 308.378 1.128 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)c1 ZINC000179716881 407827029 /nfs/dbraw/zinc/82/70/29/407827029.db2.gz PVEBOILXKFQRCW-HNNXBMFYSA-N 1 2 308.378 1.128 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184545 408824560 /nfs/dbraw/zinc/82/45/60/408824560.db2.gz IKNVFFSHALFIDD-GJZGRUSLSA-N 1 2 310.369 1.390 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184545 408824561 /nfs/dbraw/zinc/82/45/61/408824561.db2.gz IKNVFFSHALFIDD-GJZGRUSLSA-N 1 2 310.369 1.390 20 10 DDCDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(O)c1O ZINC000290849230 408844029 /nfs/dbraw/zinc/84/40/29/408844029.db2.gz HWTPQUXOXPBQOV-DGCLKSJQSA-N 1 2 306.362 1.033 20 10 DDCDLO C[NH+](C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccco1 ZINC000276767642 408895829 /nfs/dbraw/zinc/89/58/29/408895829.db2.gz XUDDBLNYIZZGMH-SNVBAGLBSA-N 1 2 308.309 1.863 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278209957 409077297 /nfs/dbraw/zinc/07/72/97/409077297.db2.gz KEFYYJQDIDQXPW-LBPRGKRZSA-N 1 2 323.349 1.362 20 10 DDCDLO C[C@H](O)C[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294776599 409303587 /nfs/dbraw/zinc/30/35/87/409303587.db2.gz UBHVYQUCWCRJSF-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO COC1CCN(c2ccc(C[N@@H+]3CCNC(=O)C3)cc2)CC1 ZINC000296614624 409626452 /nfs/dbraw/zinc/62/64/52/409626452.db2.gz UIOCYBDNKUYWIU-UHFFFAOYSA-N 1 2 303.406 1.234 20 10 DDCDLO COC1CCN(c2ccc(C[N@H+]3CCNC(=O)C3)cc2)CC1 ZINC000296614624 409626460 /nfs/dbraw/zinc/62/64/60/409626460.db2.gz UIOCYBDNKUYWIU-UHFFFAOYSA-N 1 2 303.406 1.234 20 10 DDCDLO CCOc1cccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1O ZINC000374801824 418564565 /nfs/dbraw/zinc/56/45/65/418564565.db2.gz OYQVVMPNFASHEM-LLVKDONJSA-N 1 2 318.377 1.493 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000371529776 418797043 /nfs/dbraw/zinc/79/70/43/418797043.db2.gz VBHKKWFNMRHYDL-KGLIPLIRSA-N 1 2 309.362 1.553 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(OC)ccc1O ZINC000371529776 418797044 /nfs/dbraw/zinc/79/70/44/418797044.db2.gz VBHKKWFNMRHYDL-KGLIPLIRSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCN(CCOC)C(=O)C2)c1O ZINC000181575072 521341649 /nfs/dbraw/zinc/34/16/49/521341649.db2.gz GDJPSIIERCBJQH-UHFFFAOYSA-N 1 2 308.378 1.082 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCN(CCOC)C(=O)C2)c1O ZINC000181575072 521341652 /nfs/dbraw/zinc/34/16/52/521341652.db2.gz GDJPSIIERCBJQH-UHFFFAOYSA-N 1 2 308.378 1.082 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000133598620 696828038 /nfs/dbraw/zinc/82/80/38/696828038.db2.gz VFNMXRAXEHUDRT-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000133598620 696828041 /nfs/dbraw/zinc/82/80/41/696828041.db2.gz VFNMXRAXEHUDRT-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H](C)c2ncnn2C)ccc1[N+](=O)[O-] ZINC000775108071 697963785 /nfs/dbraw/zinc/96/37/85/697963785.db2.gz BBXFVUSUKJMKTR-QMMMGPOBSA-N 1 2 307.310 1.288 20 10 DDCDLO COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776177893 698076530 /nfs/dbraw/zinc/07/65/30/698076530.db2.gz VMDQVDYAQJMWNU-LBPRGKRZSA-N 1 2 302.777 1.995 20 10 DDCDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C1CCOCC1 ZINC000776229899 698085106 /nfs/dbraw/zinc/08/51/06/698085106.db2.gz FOPVFSFGKWZSTO-CQSZACIVSA-N 1 2 324.808 1.915 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000800537881 700231572 /nfs/dbraw/zinc/23/15/72/700231572.db2.gz HNTOBPBMPYLKGF-AWEZNQCLSA-N 1 2 303.406 1.186 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000800537881 700231575 /nfs/dbraw/zinc/23/15/75/700231575.db2.gz HNTOBPBMPYLKGF-AWEZNQCLSA-N 1 2 303.406 1.186 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)F)C1)[C@H](O)CO2 ZINC000800853480 700249250 /nfs/dbraw/zinc/24/92/50/700249250.db2.gz RIBKSMWXOZDFPN-DGCLKSJQSA-N 1 2 301.289 1.284 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)F)C1)[C@H](O)CO2 ZINC000800853480 700249253 /nfs/dbraw/zinc/24/92/53/700249253.db2.gz RIBKSMWXOZDFPN-DGCLKSJQSA-N 1 2 301.289 1.284 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000396840877 699113518 /nfs/dbraw/zinc/11/35/18/699113518.db2.gz GAXLHIVGPPUGKE-SMDDNHRTSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000396840877 699113519 /nfs/dbraw/zinc/11/35/19/699113519.db2.gz GAXLHIVGPPUGKE-SMDDNHRTSA-N 1 2 313.781 1.423 20 10 DDCDLO OCCOCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708099618 699248582 /nfs/dbraw/zinc/24/85/82/699248582.db2.gz QWUXOOXGTMTCGI-UHFFFAOYSA-N 1 2 324.602 1.907 20 10 DDCDLO COc1ccc(N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000742248899 699870528 /nfs/dbraw/zinc/87/05/28/699870528.db2.gz HBCJUSSDKRTTPS-UHFFFAOYSA-N 1 2 314.389 1.677 20 10 DDCDLO COc1cc(O)c(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1OC ZINC000814180025 702491605 /nfs/dbraw/zinc/49/16/05/702491605.db2.gz MGKNZUFMYRIFHK-LLVKDONJSA-N 1 2 309.362 1.935 20 10 DDCDLO COc1cc(O)c(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1OC ZINC000814180025 702491607 /nfs/dbraw/zinc/49/16/07/702491607.db2.gz MGKNZUFMYRIFHK-LLVKDONJSA-N 1 2 309.362 1.935 20 10 DDCDLO C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000841792315 702568991 /nfs/dbraw/zinc/56/89/91/702568991.db2.gz AJPWCBDOLQEXPA-KBPBESRZSA-N 1 2 320.437 1.220 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000855228232 704474112 /nfs/dbraw/zinc/47/41/12/704474112.db2.gz YAJNOGQDZYRRJB-CQSZACIVSA-N 1 2 314.389 1.746 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000855228232 704474113 /nfs/dbraw/zinc/47/41/13/704474113.db2.gz YAJNOGQDZYRRJB-CQSZACIVSA-N 1 2 314.389 1.746 20 10 DDCDLO CCn1ncc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)n1 ZINC000858444993 704712020 /nfs/dbraw/zinc/71/20/20/704712020.db2.gz XASQUGZMRNSCTD-JTQLQIEISA-N 1 2 304.350 1.641 20 10 DDCDLO CCn1ncc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)n1 ZINC000858444994 704712080 /nfs/dbraw/zinc/71/20/80/704712080.db2.gz XASQUGZMRNSCTD-SNVBAGLBSA-N 1 2 304.350 1.641 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877704573 706182855 /nfs/dbraw/zinc/18/28/55/706182855.db2.gz RCPQXHMNWKVIPE-MRXNPFEDSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877704573 706182856 /nfs/dbraw/zinc/18/28/56/706182856.db2.gz RCPQXHMNWKVIPE-MRXNPFEDSA-N 1 2 309.362 1.555 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835026326 707158018 /nfs/dbraw/zinc/15/80/18/707158018.db2.gz UYVLJINZZIAWOP-APHBUQMISA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835026326 707158020 /nfs/dbraw/zinc/15/80/20/707158020.db2.gz UYVLJINZZIAWOP-APHBUQMISA-N 1 2 308.447 1.885 20 10 DDCDLO OCCCN1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883132665 707935890 /nfs/dbraw/zinc/93/58/90/707935890.db2.gz ZVHHCJDETXCMNV-CYBMUJFWSA-N 1 2 300.349 1.607 20 10 DDCDLO O=C1NCCC2(C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)O1 ZINC000897752547 708440246 /nfs/dbraw/zinc/44/02/46/708440246.db2.gz HNNZLUPTVVTENI-UHFFFAOYSA-N 1 2 317.389 1.208 20 10 DDCDLO CS(=O)(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893916830 710885736 /nfs/dbraw/zinc/88/57/36/710885736.db2.gz ODICLACPDXZAMM-UHFFFAOYSA-N 1 2 320.361 1.184 20 10 DDCDLO CC[C@H](C(=O)NCCc1ccc(N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911783686 710985661 /nfs/dbraw/zinc/98/56/61/710985661.db2.gz XMCNSSFSNPEESN-IAGOWNOFSA-N 1 2 319.449 1.817 20 10 DDCDLO CC[C@H](C(=O)NCCc1ccc(N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911783686 710985663 /nfs/dbraw/zinc/98/56/63/710985663.db2.gz XMCNSSFSNPEESN-IAGOWNOFSA-N 1 2 319.449 1.817 20 10 DDCDLO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000895764076 711599048 /nfs/dbraw/zinc/59/90/48/711599048.db2.gz DZQJIEJOMSNTGI-ZDUSSCGKSA-N 1 2 312.316 1.055 20 10 DDCDLO O=C(CNc1nc(Cl)nc2c1C[NH2+]C2)c1ccc(O)c(O)c1 ZINC001170314131 766245088 /nfs/dbraw/zinc/24/50/88/766245088.db2.gz OSAADWOHRRZWAI-UHFFFAOYSA-N 1 2 320.736 1.439 20 10 DDCDLO CN(c1cnn(CC[NH+]2CCOCC2)c1)c1ccc(N)cc1 ZINC001174493673 777487504 /nfs/dbraw/zinc/48/75/04/777487504.db2.gz ZLDKMMCNUQARNI-UHFFFAOYSA-N 1 2 301.394 1.565 20 10 DDCDLO COc1cc[nH+]cc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001176123227 778055615 /nfs/dbraw/zinc/05/56/15/778055615.db2.gz RCRDIVYHZJOKBW-UHFFFAOYSA-N 1 2 321.402 1.681 20 10 DDCDLO O=C1COCC2(C[NH+](Cc3ccccc3O)C2)N1CC(F)F ZINC001272618428 846415460 /nfs/dbraw/zinc/41/54/60/846415460.db2.gz HLCDHFCDYJMABA-UHFFFAOYSA-N 1 2 312.316 1.071 20 10 DDCDLO CC(C)CN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272619325 846416850 /nfs/dbraw/zinc/41/68/50/846416850.db2.gz UFQSRMHYMHHDAO-UHFFFAOYSA-N 1 2 304.390 1.461 20 10 DDCDLO CCOc1ccc(N2CC[NH+](Cc3cnc(N)nc3)CC2)cc1 ZINC001138169490 860032320 /nfs/dbraw/zinc/03/23/20/860032320.db2.gz JJNZNLZTMYDYDD-UHFFFAOYSA-N 1 2 313.405 1.780 20 10 DDCDLO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001333336069 866644029 /nfs/dbraw/zinc/64/40/29/866644029.db2.gz MJMGMJAXJUDREE-CQSZACIVSA-N 1 2 315.316 1.416 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(OC)ccc1O ZINC001203678293 870709001 /nfs/dbraw/zinc/70/90/01/870709001.db2.gz JUUARFRVVGKGSS-UBSAEIQESA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(OC)ccc1O ZINC001203678293 870709017 /nfs/dbraw/zinc/70/90/17/870709017.db2.gz JUUARFRVVGKGSS-UBSAEIQESA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC001203684512 870711512 /nfs/dbraw/zinc/71/15/12/870711512.db2.gz YPPDBABQUSFFAX-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC001203684512 870711517 /nfs/dbraw/zinc/71/15/17/870711517.db2.gz YPPDBABQUSFFAX-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO O=C1CCCN1CC[NH2+]Cc1cccc(Br)c1O ZINC000405359861 877150423 /nfs/dbraw/zinc/15/04/23/877150423.db2.gz NJCXGXMKTJGQFL-UHFFFAOYSA-N 1 2 313.195 1.867 20 10 DDCDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336635 886932347 /nfs/dbraw/zinc/93/23/47/886932347.db2.gz UARHGCQSDLFMFD-SNVBAGLBSA-N 1 2 314.332 1.397 20 10 DDCDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336635 886932356 /nfs/dbraw/zinc/93/23/56/886932356.db2.gz UARHGCQSDLFMFD-SNVBAGLBSA-N 1 2 314.332 1.397 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1Cl ZINC001236801163 889360738 /nfs/dbraw/zinc/36/07/38/889360738.db2.gz GIPFKAGZJLDGJY-WFASDCNBSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1Cl ZINC001236801163 889360751 /nfs/dbraw/zinc/36/07/51/889360751.db2.gz GIPFKAGZJLDGJY-WFASDCNBSA-N 1 2 315.797 1.619 20 10 DDCDLO CCN1C(=O)C(=CNc2[nH+]cccc2C)C(=O)N(CC)C1=S ZINC000060860975 184156876 /nfs/dbraw/zinc/15/68/76/184156876.db2.gz AYWQWJADMVDHKP-UHFFFAOYSA-N 1 2 318.402 1.681 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c1O ZINC000271181710 407561053 /nfs/dbraw/zinc/56/10/53/407561053.db2.gz LIHSSWBMCIJANC-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c1O ZINC000271181710 407561059 /nfs/dbraw/zinc/56/10/59/407561059.db2.gz LIHSSWBMCIJANC-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000185864501 407524227 /nfs/dbraw/zinc/52/42/27/407524227.db2.gz NCLJLZNUVSELOT-GFCCVEGCSA-N 1 2 315.373 1.926 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000270673944 408631754 /nfs/dbraw/zinc/63/17/54/408631754.db2.gz SOOBYQSGFVSZNK-LLVKDONJSA-N 1 2 311.769 1.491 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000270673944 408631759 /nfs/dbraw/zinc/63/17/59/408631759.db2.gz SOOBYQSGFVSZNK-LLVKDONJSA-N 1 2 311.769 1.491 20 10 DDCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCNC1=O ZINC000281716686 408916722 /nfs/dbraw/zinc/91/67/22/408916722.db2.gz IFJMZIMUYVRFRO-NSHDSACASA-N 1 2 309.322 1.019 20 10 DDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000367271718 418578604 /nfs/dbraw/zinc/57/86/04/418578604.db2.gz UNYJKQMMASUGOD-OAHLLOKOSA-N 1 2 309.385 1.229 20 10 DDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000367271718 418578606 /nfs/dbraw/zinc/57/86/06/418578606.db2.gz UNYJKQMMASUGOD-OAHLLOKOSA-N 1 2 309.385 1.229 20 10 DDCDLO COCCN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000191702985 222107655 /nfs/dbraw/zinc/10/76/55/222107655.db2.gz APVMWDGWFRMWKD-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO COCCN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000191702985 222107660 /nfs/dbraw/zinc/10/76/60/222107660.db2.gz APVMWDGWFRMWKD-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC000369595871 418734925 /nfs/dbraw/zinc/73/49/25/418734925.db2.gz QWVVUWIBYQJTJS-JTQLQIEISA-N 1 2 306.297 1.350 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)n1 ZINC000369595871 418734928 /nfs/dbraw/zinc/73/49/28/418734928.db2.gz QWVVUWIBYQJTJS-JTQLQIEISA-N 1 2 306.297 1.350 20 10 DDCDLO NS(=O)(=O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000364583875 418789044 /nfs/dbraw/zinc/78/90/44/418789044.db2.gz GKCDVJOSDDAZFL-UHFFFAOYSA-N 1 2 322.789 1.438 20 10 DDCDLO CNC(=O)CN1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000158103094 524072067 /nfs/dbraw/zinc/07/20/67/524072067.db2.gz JUYFZXRIYLICJJ-UHFFFAOYSA-N 1 2 311.813 1.346 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000093083269 696599165 /nfs/dbraw/zinc/59/91/65/696599165.db2.gz ATFSQIPYDPJNCR-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000093083269 696599167 /nfs/dbraw/zinc/59/91/67/696599167.db2.gz ATFSQIPYDPJNCR-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO CCCN1CC[N@H+](Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O ZINC000190269766 697587508 /nfs/dbraw/zinc/58/75/08/697587508.db2.gz SPGISAXYMRIDNI-UHFFFAOYSA-N 1 2 320.389 1.954 20 10 DDCDLO CCCN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O ZINC000190269766 697587512 /nfs/dbraw/zinc/58/75/12/697587512.db2.gz SPGISAXYMRIDNI-UHFFFAOYSA-N 1 2 320.389 1.954 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000775112029 697963972 /nfs/dbraw/zinc/96/39/72/697963972.db2.gz RPWMYDAGFRGDTA-SSDOTTSWSA-N 1 2 308.294 1.851 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2c[nH+]cn2C)c1 ZINC000811924756 702085595 /nfs/dbraw/zinc/08/55/95/702085595.db2.gz HTGODCGACNESMA-JTQLQIEISA-N 1 2 304.350 1.695 20 10 DDCDLO C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000868521681 702175790 /nfs/dbraw/zinc/17/57/90/702175790.db2.gz YADVDSZPDWMNJF-NEPJUHHUSA-N 1 2 300.362 1.964 20 10 DDCDLO Cc1cc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)ccc1N(C)C ZINC000879948779 706830274 /nfs/dbraw/zinc/83/02/74/706830274.db2.gz NHXBSYRYDXRHSS-OAQYLSRUSA-N 1 2 310.467 1.770 20 10 DDCDLO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000875243764 705328598 /nfs/dbraw/zinc/32/85/98/705328598.db2.gz YZIMTRMHHROVKF-OLZOCXBDSA-N 1 2 319.405 1.527 20 10 DDCDLO COc1ccc(N2CCN(c3nc(C)[nH+]c(N)n3)CC2)cc1F ZINC000865601272 706474467 /nfs/dbraw/zinc/47/44/67/706474467.db2.gz NJGXIYRSIXUJTC-UHFFFAOYSA-N 1 2 318.356 1.237 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000878983359 706552122 /nfs/dbraw/zinc/55/21/22/706552122.db2.gz KWKJYPFISJWVAO-WFASDCNBSA-N 1 2 313.781 1.566 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000878983359 706552125 /nfs/dbraw/zinc/55/21/25/706552125.db2.gz KWKJYPFISJWVAO-WFASDCNBSA-N 1 2 313.781 1.566 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(Cl)cc1O ZINC000883304692 707972800 /nfs/dbraw/zinc/97/28/00/707972800.db2.gz CVWFBEDABCOZAQ-MRVPVSSYSA-N 1 2 321.768 1.231 20 10 DDCDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893967400 710903555 /nfs/dbraw/zinc/90/35/55/710903555.db2.gz KUDJCBWNSTZJTH-GFCCVEGCSA-N 1 2 311.332 1.660 20 10 DDCDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893967400 710903558 /nfs/dbraw/zinc/90/35/58/710903558.db2.gz KUDJCBWNSTZJTH-GFCCVEGCSA-N 1 2 311.332 1.660 20 10 DDCDLO COCC[N@H+](CCO)Cc1cc(Br)cc(F)c1O ZINC000893996096 710916283 /nfs/dbraw/zinc/91/62/83/710916283.db2.gz TUQRVBABVQLFKW-UHFFFAOYSA-N 1 2 322.174 1.735 20 10 DDCDLO COCC[N@@H+](CCO)Cc1cc(Br)cc(F)c1O ZINC000893996096 710916289 /nfs/dbraw/zinc/91/62/89/710916289.db2.gz TUQRVBABVQLFKW-UHFFFAOYSA-N 1 2 322.174 1.735 20 10 DDCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H](C)CS(C)(=O)=O ZINC000894027708 710934666 /nfs/dbraw/zinc/93/46/66/710934666.db2.gz UOWRYFBPIPTOST-VIFPVBQESA-N 1 2 307.362 1.925 20 10 DDCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H](C)CS(C)(=O)=O ZINC000894027708 710934668 /nfs/dbraw/zinc/93/46/68/710934668.db2.gz UOWRYFBPIPTOST-VIFPVBQESA-N 1 2 307.362 1.925 20 10 DDCDLO C/C(=C\C(=O)N[C@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000913763823 713297598 /nfs/dbraw/zinc/29/75/98/713297598.db2.gz SIDQIEJDGXASSM-YPDDLIOESA-N 1 2 304.390 1.848 20 10 DDCDLO Cn1ccnc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001202749109 749622791 /nfs/dbraw/zinc/62/27/91/749622791.db2.gz GPNLSMKYGDVGNJ-UHFFFAOYSA-N 1 2 322.359 1.825 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC001326577782 861458182 /nfs/dbraw/zinc/45/81/82/861458182.db2.gz OWVUIBWPDFSXHH-QMMMGPOBSA-N 1 2 307.310 1.288 20 10 DDCDLO CN1C[C@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)OCC1=O ZINC001272616667 846413792 /nfs/dbraw/zinc/41/37/92/846413792.db2.gz NMNALKYHQKUHCR-HNNXBMFYSA-N 1 2 312.316 1.104 20 10 DDCDLO CN1C[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)OCC1=O ZINC001272616667 846413796 /nfs/dbraw/zinc/41/37/96/846413796.db2.gz NMNALKYHQKUHCR-HNNXBMFYSA-N 1 2 312.316 1.104 20 10 DDCDLO CC[C@H](C)N1CC2(C[NH+](Cc3ccc(C)cc3O)C2)OCC1=O ZINC001272765570 847395317 /nfs/dbraw/zinc/39/53/17/847395317.db2.gz JOUSAQNSGGDOQE-AWEZNQCLSA-N 1 2 318.417 1.912 20 10 DDCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001273265458 849267278 /nfs/dbraw/zinc/26/72/78/849267278.db2.gz GFQWHBGAVMKKDO-GFCCVEGCSA-N 1 2 322.380 1.743 20 10 DDCDLO CC[C@H](C)N1CC2(C[NH+](Cc3c(C)cccc3O)C2)OCC1=O ZINC001274301040 852139960 /nfs/dbraw/zinc/13/99/60/852139960.db2.gz MHBPBOQKQUPUOJ-AWEZNQCLSA-N 1 2 318.417 1.912 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C)n2C)c1 ZINC001320119050 866489520 /nfs/dbraw/zinc/48/95/20/866489520.db2.gz VRHGAHREGQOJLV-SECBINFHSA-N 1 2 304.350 1.467 20 10 DDCDLO Nc1ccc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC001335290184 868205494 /nfs/dbraw/zinc/20/54/94/868205494.db2.gz VCJAVEKYFPDFMS-UHFFFAOYSA-N 1 2 317.414 1.475 20 10 DDCDLO Nc1ccc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC001335290184 868205509 /nfs/dbraw/zinc/20/55/09/868205509.db2.gz VCJAVEKYFPDFMS-UHFFFAOYSA-N 1 2 317.414 1.475 20 10 DDCDLO COc1ccnc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203879269 870816619 /nfs/dbraw/zinc/81/66/19/870816619.db2.gz HQJVDFHMNIXJGQ-UHFFFAOYSA-N 1 2 316.361 1.219 20 10 DDCDLO Cc1cccn2cc(CC(=O)NCc3cccc(O)c3O)[nH+]c12 ZINC001303195170 871106157 /nfs/dbraw/zinc/10/61/57/871106157.db2.gz RLLYONAJBJEWSL-UHFFFAOYSA-N 1 2 311.341 1.913 20 10 DDCDLO COc1ccc(O)c(C[NH2+]Cc2nc(C(F)(F)F)n[nH]2)c1 ZINC001207873261 873629686 /nfs/dbraw/zinc/62/96/86/873629686.db2.gz PCKWEAUBABNNCN-UHFFFAOYSA-N 1 2 302.256 1.828 20 10 DDCDLO COc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1Cl ZINC001276805966 878331126 /nfs/dbraw/zinc/33/11/26/878331126.db2.gz DPTPJPAWKFGLIP-AAEUAGOBSA-N 1 2 312.797 1.569 20 10 DDCDLO COc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1Cl ZINC001276805966 878331145 /nfs/dbraw/zinc/33/11/45/878331145.db2.gz DPTPJPAWKFGLIP-AAEUAGOBSA-N 1 2 312.797 1.569 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015207 886727334 /nfs/dbraw/zinc/72/73/34/886727334.db2.gz FKNCKTBGJQRWBL-LLVKDONJSA-N 1 2 309.366 1.039 20 10 DDCDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015207 886727345 /nfs/dbraw/zinc/72/73/45/886727345.db2.gz FKNCKTBGJQRWBL-LLVKDONJSA-N 1 2 309.366 1.039 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233727120 887253627 /nfs/dbraw/zinc/25/36/27/887253627.db2.gz IXPCWHLURJXKJM-JTQLQIEISA-N 1 2 307.268 1.484 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233727120 887253640 /nfs/dbraw/zinc/25/36/40/887253640.db2.gz IXPCWHLURJXKJM-JTQLQIEISA-N 1 2 307.268 1.484 20 10 DDCDLO Cc1ccc(C)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2C(N)=O)c1O ZINC001278354152 891540994 /nfs/dbraw/zinc/54/09/94/891540994.db2.gz GKWXCBOGCATXIG-OAHLLOKOSA-N 1 2 314.389 1.465 20 10 DDCDLO Cc1ccc(C)c(C[N@H+]2Cc3ccnn3CC[C@@H]2C(N)=O)c1O ZINC001278354152 891541003 /nfs/dbraw/zinc/54/10/03/891541003.db2.gz GKWXCBOGCATXIG-OAHLLOKOSA-N 1 2 314.389 1.465 20 10 DDCDLO COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000092105630 353844914 /nfs/dbraw/zinc/84/49/14/353844914.db2.gz DBIHNKMCWGYSNB-ZIAGYGMSSA-N 1 2 304.390 1.891 20 10 DDCDLO COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000092105630 353844917 /nfs/dbraw/zinc/84/49/17/353844917.db2.gz DBIHNKMCWGYSNB-ZIAGYGMSSA-N 1 2 304.390 1.891 20 10 DDCDLO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000022153360 182311558 /nfs/dbraw/zinc/31/15/58/182311558.db2.gz CSHNWWLIJYJOJT-UHFFFAOYSA-N 1 2 313.206 1.338 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000037322441 406987240 /nfs/dbraw/zinc/98/72/40/406987240.db2.gz PORGDLLQIQJLJC-UHFFFAOYSA-N 1 2 310.781 1.946 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cncn3C)CC2)cc1F ZINC000122117217 408251420 /nfs/dbraw/zinc/25/14/20/408251420.db2.gz GEUBYJFANXZFGO-UHFFFAOYSA-N 1 2 304.369 1.890 20 10 DDCDLO COc1ccc(N2CCN(Cc3c[nH+]cn3C)CC2)cc1F ZINC000122117217 408251425 /nfs/dbraw/zinc/25/14/25/408251425.db2.gz GEUBYJFANXZFGO-UHFFFAOYSA-N 1 2 304.369 1.890 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC000177240271 408560131 /nfs/dbraw/zinc/56/01/31/408560131.db2.gz GXMOWGBMNCUVHD-AWEZNQCLSA-N 1 2 308.353 1.787 20 10 DDCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000366787146 418517232 /nfs/dbraw/zinc/51/72/32/418517232.db2.gz FKDOQAPESQCMJF-SNVBAGLBSA-N 1 2 300.761 1.701 20 10 DDCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000366787146 418517234 /nfs/dbraw/zinc/51/72/34/418517234.db2.gz FKDOQAPESQCMJF-SNVBAGLBSA-N 1 2 300.761 1.701 20 10 DDCDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000376830562 418701737 /nfs/dbraw/zinc/70/17/37/418701737.db2.gz DQPZDVWDYPBQJY-JTQLQIEISA-N 1 2 304.799 1.169 20 10 DDCDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000376830562 418701740 /nfs/dbraw/zinc/70/17/40/418701740.db2.gz DQPZDVWDYPBQJY-JTQLQIEISA-N 1 2 304.799 1.169 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000369595472 418735149 /nfs/dbraw/zinc/73/51/49/418735149.db2.gz PIPAHSLLUOVXSH-ZDUSSCGKSA-N 1 2 315.377 1.572 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000369595472 418735151 /nfs/dbraw/zinc/73/51/51/418735151.db2.gz PIPAHSLLUOVXSH-ZDUSSCGKSA-N 1 2 315.377 1.572 20 10 DDCDLO CCN(C)C(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000267968967 520146628 /nfs/dbraw/zinc/14/66/28/520146628.db2.gz UTFVNINFIBECFM-UHFFFAOYSA-N 1 2 309.385 1.435 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000188096089 526771939 /nfs/dbraw/zinc/77/19/39/526771939.db2.gz KBDYKIQIJNMDLX-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000158097056 696986396 /nfs/dbraw/zinc/98/63/96/696986396.db2.gz OCCVWFKBQVQEIZ-UHFFFAOYSA-N 1 2 318.826 1.559 20 10 DDCDLO CCN(C)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000773775255 697803422 /nfs/dbraw/zinc/80/34/22/697803422.db2.gz YBIYYUJDTQYDQT-QFIPXVFZSA-N 1 2 323.506 1.639 20 10 DDCDLO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703294636 699235764 /nfs/dbraw/zinc/23/57/64/699235764.db2.gz JCFQYYHOMRYNTK-SNVBAGLBSA-N 1 2 305.346 1.727 20 10 DDCDLO CCN(C)C(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743367 699276655 /nfs/dbraw/zinc/27/66/55/699276655.db2.gz ALTWCXGYFRTJOP-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCn1cc[nH+]c1 ZINC000753635053 700447339 /nfs/dbraw/zinc/44/73/39/700447339.db2.gz BCBRXRLFLYCFHR-LBPRGKRZSA-N 1 2 303.362 1.822 20 10 DDCDLO Cn1c[nH+]cc1CC(=O)NCc1cc(Br)ccc1O ZINC000804740666 701210821 /nfs/dbraw/zinc/21/08/21/701210821.db2.gz KZAYEHZRRQBHMB-UHFFFAOYSA-N 1 2 324.178 1.747 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2c[nH+]cn2C)c1 ZINC000811924757 702085793 /nfs/dbraw/zinc/08/57/93/702085793.db2.gz HTGODCGACNESMA-SNVBAGLBSA-N 1 2 304.350 1.695 20 10 DDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418685 702376412 /nfs/dbraw/zinc/37/64/12/702376412.db2.gz BQQAAUUSYBSSDV-SNVBAGLBSA-N 1 2 311.748 1.666 20 10 DDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cc(Cl)ccc1O ZINC000869145845 702479033 /nfs/dbraw/zinc/47/90/33/702479033.db2.gz BIYUCSGFIKQLRA-OWOJBTEDSA-N 1 2 310.781 1.550 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nnnn2C)cc1 ZINC000844401453 703026639 /nfs/dbraw/zinc/02/66/39/703026639.db2.gz LWSQKIHHETZHOX-GFCCVEGCSA-N 1 2 304.398 1.348 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nnnn2C)cc1 ZINC000844401453 703026642 /nfs/dbraw/zinc/02/66/42/703026642.db2.gz LWSQKIHHETZHOX-GFCCVEGCSA-N 1 2 304.398 1.348 20 10 DDCDLO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870089842 703913108 /nfs/dbraw/zinc/91/31/08/703913108.db2.gz BSDWGKSEXGXGJS-ZDUSSCGKSA-N 1 2 304.371 1.946 20 10 DDCDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1=CC(=O)CS1)C2 ZINC000854412822 704393421 /nfs/dbraw/zinc/39/34/21/704393421.db2.gz MZHHPONBWGPVKS-JTQLQIEISA-N 1 2 321.402 1.238 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1O ZINC000875194025 705311364 /nfs/dbraw/zinc/31/13/64/705311364.db2.gz GPEPPTJJJQBERL-QWHCGFSZSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1O ZINC000875194025 705311367 /nfs/dbraw/zinc/31/13/67/705311367.db2.gz GPEPPTJJJQBERL-QWHCGFSZSA-N 1 2 307.394 1.473 20 10 DDCDLO CC[N@H+](Cc1c(O)cccc1Br)[C@H]1CCNC1=O ZINC000862353818 705699504 /nfs/dbraw/zinc/69/95/04/705699504.db2.gz BEPJYZARYSDSFD-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO CC[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCNC1=O ZINC000862353818 705699506 /nfs/dbraw/zinc/69/95/06/705699506.db2.gz BEPJYZARYSDSFD-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1F ZINC000862535340 705728290 /nfs/dbraw/zinc/72/82/90/705728290.db2.gz JVHAJQHQCRHHRT-CQSZACIVSA-N 1 2 323.412 1.748 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1F ZINC000862535340 705728294 /nfs/dbraw/zinc/72/82/94/705728294.db2.gz JVHAJQHQCRHHRT-CQSZACIVSA-N 1 2 323.412 1.748 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877703654 706182988 /nfs/dbraw/zinc/18/29/88/706182988.db2.gz CGOJWJKSLUSCOC-MRXNPFEDSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877703654 706182990 /nfs/dbraw/zinc/18/29/90/706182990.db2.gz CGOJWJKSLUSCOC-MRXNPFEDSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883090062 707922687 /nfs/dbraw/zinc/92/26/87/707922687.db2.gz BDCFTQBPMWLCBG-NSHDSACASA-N 1 2 300.305 1.991 20 10 DDCDLO CC(=O)c1cn(C2C[NH+](Cc3cc(C)c(C)cc3O)C2)nn1 ZINC000897939012 708500025 /nfs/dbraw/zinc/50/00/25/708500025.db2.gz QDZRXYMBJMYEGI-UHFFFAOYSA-N 1 2 300.362 1.860 20 10 DDCDLO OC1CCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cc2F)CC1 ZINC000894203394 711015698 /nfs/dbraw/zinc/01/56/98/711015698.db2.gz RLBSNDIJWAVFFR-UHFFFAOYSA-N 1 2 304.369 1.800 20 10 DDCDLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000895688186 711578316 /nfs/dbraw/zinc/57/83/16/711578316.db2.gz IDQSBZDOPQZGIC-MGCOHNPYSA-N 1 2 307.774 1.850 20 10 DDCDLO COc1ccc(O)c(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC000896360795 711711499 /nfs/dbraw/zinc/71/14/99/711711499.db2.gz HANYZTVLFPGWIB-UHFFFAOYSA-N 1 2 303.362 1.957 20 10 DDCDLO O=S1CC2(C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001138494981 855404385 /nfs/dbraw/zinc/40/43/85/855404385.db2.gz AICLJEDXVTYRDW-UHFFFAOYSA-N 1 2 306.431 1.088 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356978 860073770 /nfs/dbraw/zinc/07/37/70/860073770.db2.gz WVVLERMARXYHNN-INIZCTEOSA-N 1 2 318.417 1.833 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356978 860073776 /nfs/dbraw/zinc/07/37/76/860073776.db2.gz WVVLERMARXYHNN-INIZCTEOSA-N 1 2 318.417 1.833 20 10 DDCDLO COc1ccc(N2CC3(C2)C[NH+](CC(=O)N(C)C)C3)c(C)c1 ZINC001277019217 881678762 /nfs/dbraw/zinc/67/87/62/881678762.db2.gz WZVMDEGTLMDWNZ-UHFFFAOYSA-N 1 2 303.406 1.214 20 10 DDCDLO Nc1nc(N)[nH+]c(NCc2cccc(Br)c2O)n1 ZINC001163217233 868220634 /nfs/dbraw/zinc/22/06/34/868220634.db2.gz KFHFDMVAFFVCKQ-UHFFFAOYSA-N 1 2 311.143 1.116 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N)cc1 ZINC001338695315 870117902 /nfs/dbraw/zinc/11/79/02/870117902.db2.gz CKEXVRWSCYVTQW-HNNXBMFYSA-N 1 2 306.410 1.179 20 10 DDCDLO O=C1NC(=O)[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2O)N1 ZINC001205716315 871737804 /nfs/dbraw/zinc/73/78/04/871737804.db2.gz HOSRFBARYCHNAW-BMIGLBTASA-N 1 2 323.780 1.514 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C2)cc1 ZINC001342197431 872062807 /nfs/dbraw/zinc/06/28/07/872062807.db2.gz HVZIPJYJTBFMGZ-GXFFZTMASA-N 1 2 313.348 1.373 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCc3onc(C(N)=O)c3C2)c1 ZINC001277463372 884746980 /nfs/dbraw/zinc/74/69/80/884746980.db2.gz KCILMBYZKYLXLP-UHFFFAOYSA-N 1 2 303.318 1.046 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCc3onc(C(N)=O)c3C2)c1 ZINC001277463372 884746986 /nfs/dbraw/zinc/74/69/86/884746986.db2.gz KCILMBYZKYLXLP-UHFFFAOYSA-N 1 2 303.318 1.046 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231592719 885756736 /nfs/dbraw/zinc/75/67/36/885756736.db2.gz PHEWNHZGMZLUNV-AWEZNQCLSA-N 1 2 302.378 1.575 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231592719 885756741 /nfs/dbraw/zinc/75/67/41/885756741.db2.gz PHEWNHZGMZLUNV-AWEZNQCLSA-N 1 2 302.378 1.575 20 10 DDCDLO Cc1cc(F)cc(C[NH+]2CCC(S(C)(=O)=O)CC2)c1O ZINC001238062346 890006777 /nfs/dbraw/zinc/00/67/77/890006777.db2.gz OUQIOTJZCOSFBP-UHFFFAOYSA-N 1 2 301.383 1.849 20 10 DDCDLO COc1ccc(N2CC[NH+](C3CCS(=O)(=O)CC3)CC2)cc1 ZINC001256384471 897415090 /nfs/dbraw/zinc/41/50/90/897415090.db2.gz DQLPQSGWXBFKAN-UHFFFAOYSA-N 1 2 324.446 1.394 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1F ZINC000092735176 185337443 /nfs/dbraw/zinc/33/74/43/185337443.db2.gz JRGTVYCCQITPFQ-OAHLLOKOSA-N 1 2 309.385 1.358 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1F ZINC000092735176 185337444 /nfs/dbraw/zinc/33/74/44/185337444.db2.gz JRGTVYCCQITPFQ-OAHLLOKOSA-N 1 2 309.385 1.358 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N(C)Cc2[nH+]ccn2C)cc1F ZINC000271852327 407736489 /nfs/dbraw/zinc/73/64/89/407736489.db2.gz XTIGQDKNXDHYEX-UHFFFAOYSA-N 1 2 319.384 1.967 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)c1 ZINC000179715722 407826624 /nfs/dbraw/zinc/82/66/24/407826624.db2.gz NGSPSYSUTBGPHR-INIZCTEOSA-N 1 2 322.405 1.518 20 10 DDCDLO CN(C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1F ZINC000193007145 408682575 /nfs/dbraw/zinc/68/25/75/408682575.db2.gz CERFCIJBDZXGMP-UHFFFAOYSA-N 1 2 304.369 1.874 20 10 DDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292736129 409041305 /nfs/dbraw/zinc/04/13/05/409041305.db2.gz GUXMRMLAMNROBT-LLVKDONJSA-N 1 2 318.826 1.511 20 10 DDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292736129 409041306 /nfs/dbraw/zinc/04/13/06/409041306.db2.gz GUXMRMLAMNROBT-LLVKDONJSA-N 1 2 318.826 1.511 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000372747672 418898738 /nfs/dbraw/zinc/89/87/38/418898738.db2.gz YSGKUBAHTQLQKZ-ZDUSSCGKSA-N 1 2 316.380 1.967 20 10 DDCDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189761797 279011723 /nfs/dbraw/zinc/01/17/23/279011723.db2.gz OGMLTKJZCCWMMT-GFCCVEGCSA-N 1 2 306.362 1.467 20 10 DDCDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189761797 279011725 /nfs/dbraw/zinc/01/17/25/279011725.db2.gz OGMLTKJZCCWMMT-GFCCVEGCSA-N 1 2 306.362 1.467 20 10 DDCDLO CCOCCN1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160171143 519922150 /nfs/dbraw/zinc/92/21/50/519922150.db2.gz LFFXYYLYQACBMM-UHFFFAOYSA-N 1 2 324.421 1.564 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000160994116 697321166 /nfs/dbraw/zinc/32/11/66/697321166.db2.gz MGFLRJGUKHNFQW-HNNXBMFYSA-N 1 2 324.808 1.869 20 10 DDCDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779027856 698391840 /nfs/dbraw/zinc/39/18/40/698391840.db2.gz SMVDDBRLFADSDW-FQEVSTJZSA-N 1 2 300.399 1.027 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000783703796 698868469 /nfs/dbraw/zinc/86/84/69/698868469.db2.gz FCECTCOEFUYHGS-DZGCQCFKSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000783703796 698868474 /nfs/dbraw/zinc/86/84/74/698868474.db2.gz FCECTCOEFUYHGS-DZGCQCFKSA-N 1 2 309.362 1.289 20 10 DDCDLO CC[N@H+](CC(=O)NC)Cc1c(O)cccc1Br ZINC000707163927 699245926 /nfs/dbraw/zinc/24/59/26/699245926.db2.gz MPTFTMYYJXODEH-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO CC[N@@H+](CC(=O)NC)Cc1c(O)cccc1Br ZINC000707163927 699245930 /nfs/dbraw/zinc/24/59/30/699245930.db2.gz MPTFTMYYJXODEH-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)c(O)c1 ZINC000809772906 701688793 /nfs/dbraw/zinc/68/87/93/701688793.db2.gz DFEWXBFTGFPKCV-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)OC)c(O)c1 ZINC000809772906 701688794 /nfs/dbraw/zinc/68/87/94/701688794.db2.gz DFEWXBFTGFPKCV-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO COc1cccc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466631 701245905 /nfs/dbraw/zinc/24/59/05/701245905.db2.gz NZJYADOISRYLBA-CQSZACIVSA-N 1 2 323.389 1.943 20 10 DDCDLO COc1cccc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466631 701245907 /nfs/dbraw/zinc/24/59/07/701245907.db2.gz NZJYADOISRYLBA-CQSZACIVSA-N 1 2 323.389 1.943 20 10 DDCDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839531820 701726920 /nfs/dbraw/zinc/72/69/20/701726920.db2.gz HRZXIBGKHGPYLS-GOSISDBHSA-N 1 2 319.449 1.870 20 10 DDCDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839531820 701726922 /nfs/dbraw/zinc/72/69/22/701726922.db2.gz HRZXIBGKHGPYLS-GOSISDBHSA-N 1 2 319.449 1.870 20 10 DDCDLO COc1ccc(O)c(CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000811806163 702064260 /nfs/dbraw/zinc/06/42/60/702064260.db2.gz KQQAGEZJAFMZBZ-UHFFFAOYSA-N 1 2 316.361 1.640 20 10 DDCDLO COc1ccc(O)c(CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000811806163 702064267 /nfs/dbraw/zinc/06/42/67/702064267.db2.gz KQQAGEZJAFMZBZ-UHFFFAOYSA-N 1 2 316.361 1.640 20 10 DDCDLO COCCCOc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819420800 704123101 /nfs/dbraw/zinc/12/31/01/704123101.db2.gz BOVJSZBFYHIPMX-OAHLLOKOSA-N 1 2 324.421 1.207 20 10 DDCDLO CCn1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)n1 ZINC000822494885 704960449 /nfs/dbraw/zinc/96/04/49/704960449.db2.gz XDYFWTULISHGRY-UHFFFAOYSA-N 1 2 321.337 1.519 20 10 DDCDLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1O ZINC000875194026 705311307 /nfs/dbraw/zinc/31/13/07/705311307.db2.gz GPEPPTJJJQBERL-STQMWFEESA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1O ZINC000875194026 705311309 /nfs/dbraw/zinc/31/13/09/705311309.db2.gz GPEPPTJJJQBERL-STQMWFEESA-N 1 2 307.394 1.473 20 10 DDCDLO OC1CCN(c2ccc(C[NH2+]Cc3csnn3)cc2)CC1 ZINC000827661565 706045258 /nfs/dbraw/zinc/04/52/58/706045258.db2.gz ALLCCZKSFOSHEE-UHFFFAOYSA-N 1 2 304.419 1.789 20 10 DDCDLO CN(C)c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000864575184 706199861 /nfs/dbraw/zinc/19/98/61/706199861.db2.gz LRGWXBCNCDHSRZ-ONEGZZNKSA-N 1 2 303.406 1.257 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000835026329 707157759 /nfs/dbraw/zinc/15/77/59/707157759.db2.gz UYVLJINZZIAWOP-YIEVGGLXSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000835026329 707157760 /nfs/dbraw/zinc/15/77/60/707157760.db2.gz UYVLJINZZIAWOP-YIEVGGLXSA-N 1 2 308.447 1.885 20 10 DDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709678 713072904 /nfs/dbraw/zinc/07/29/04/713072904.db2.gz SDBKIZGAXHSPHU-UHFFFAOYSA-N 1 2 314.389 1.230 20 10 DDCDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894842283 711292896 /nfs/dbraw/zinc/29/28/96/711292896.db2.gz AEQXESDHBZXUGS-VIFPVBQESA-N 1 2 305.346 1.537 20 10 DDCDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894842283 711292899 /nfs/dbraw/zinc/29/28/99/711292899.db2.gz AEQXESDHBZXUGS-VIFPVBQESA-N 1 2 305.346 1.537 20 10 DDCDLO CN(C)c1ccc(/C=C/C[NH+]2CC(C3CS(=O)(=O)C3)C2)cc1 ZINC000895423676 711508938 /nfs/dbraw/zinc/50/89/38/711508938.db2.gz BACDAUDIFYYIRF-ONEGZZNKSA-N 1 2 320.458 1.742 20 10 DDCDLO C[C@@H](CNC(=O)NCc1c(O)cccc1F)[NH+]1CCOCC1 ZINC000914067125 713337506 /nfs/dbraw/zinc/33/75/06/713337506.db2.gz LMLSQGBMGHXSCL-NSHDSACASA-N 1 2 311.357 1.051 20 10 DDCDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001182072196 743469414 /nfs/dbraw/zinc/46/94/14/743469414.db2.gz MPNHSZIMZABCNN-SNVBAGLBSA-N 1 2 319.373 1.927 20 10 DDCDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001182072196 743469419 /nfs/dbraw/zinc/46/94/19/743469419.db2.gz MPNHSZIMZABCNN-SNVBAGLBSA-N 1 2 319.373 1.927 20 10 DDCDLO COCC[NH+]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193605366 746164793 /nfs/dbraw/zinc/16/47/93/746164793.db2.gz FJQAMSGILFGLQS-UHFFFAOYSA-N 1 2 314.769 1.155 20 10 DDCDLO O=C(NCc1c[nH+]cn1C1CCC1)c1cc(O)c(O)c(O)c1 ZINC001148590149 773541544 /nfs/dbraw/zinc/54/15/44/773541544.db2.gz CJFCZKFXUXRMSP-UHFFFAOYSA-N 1 2 303.318 1.655 20 10 DDCDLO CCCCN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272618068 846415738 /nfs/dbraw/zinc/41/57/38/846415738.db2.gz ARSPBHFSTGKNMQ-UHFFFAOYSA-N 1 2 304.390 1.606 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)CCO1 ZINC001236807070 846644973 /nfs/dbraw/zinc/64/49/73/846644973.db2.gz DRXSZFDYNPLYHY-NSHDSACASA-N 1 2 301.770 1.901 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)CCO1 ZINC001236807070 846644976 /nfs/dbraw/zinc/64/49/76/846644976.db2.gz DRXSZFDYNPLYHY-NSHDSACASA-N 1 2 301.770 1.901 20 10 DDCDLO COc1cccc(O)c1C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001330639407 864504400 /nfs/dbraw/zinc/50/44/00/864504400.db2.gz PSMGDTUXAVLVHR-UHFFFAOYSA-N 1 2 317.345 1.259 20 10 DDCDLO CN(Cc1ccccc1O)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001338716951 870128928 /nfs/dbraw/zinc/12/89/28/870128928.db2.gz HZZFDAQYLXHGGI-UHFFFAOYSA-N 1 2 312.377 1.481 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1[nH+]ccn1C ZINC001346845836 873913435 /nfs/dbraw/zinc/91/34/35/873913435.db2.gz DKIFGBQVVHZUAU-UHFFFAOYSA-N 1 2 314.389 1.844 20 10 DDCDLO O=C(C1CCC1)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486512 887019142 /nfs/dbraw/zinc/01/91/42/887019142.db2.gz PEBYYZGTZWUYJK-UHFFFAOYSA-N 1 2 306.362 1.248 20 10 DDCDLO CN(C)c1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1F ZINC000271169491 407550738 /nfs/dbraw/zinc/55/07/38/407550738.db2.gz DJIFRVSABZYODP-UHFFFAOYSA-N 1 2 322.428 1.273 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1F ZINC000271169491 407550746 /nfs/dbraw/zinc/55/07/46/407550746.db2.gz DJIFRVSABZYODP-UHFFFAOYSA-N 1 2 322.428 1.273 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837702 407524092 /nfs/dbraw/zinc/52/40/92/407524092.db2.gz FIBNCZCICHKEQR-UHFFFAOYSA-N 1 2 321.421 1.644 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837702 407524097 /nfs/dbraw/zinc/52/40/97/407524097.db2.gz FIBNCZCICHKEQR-UHFFFAOYSA-N 1 2 321.421 1.644 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)c1O ZINC000185936329 407545263 /nfs/dbraw/zinc/54/52/63/407545263.db2.gz GZKTUFIMSQTLAR-MRXNPFEDSA-N 1 2 308.353 1.964 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)c1O ZINC000185936329 407545265 /nfs/dbraw/zinc/54/52/65/407545265.db2.gz GZKTUFIMSQTLAR-MRXNPFEDSA-N 1 2 308.353 1.964 20 10 DDCDLO CS(=O)(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179661803 407819937 /nfs/dbraw/zinc/81/99/37/407819937.db2.gz JDHRKZPJWZLBMS-UHFFFAOYSA-N 1 2 318.826 1.513 20 10 DDCDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179661803 407819950 /nfs/dbraw/zinc/81/99/50/407819950.db2.gz JDHRKZPJWZLBMS-UHFFFAOYSA-N 1 2 318.826 1.513 20 10 DDCDLO OCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000269342802 408276962 /nfs/dbraw/zinc/27/69/62/408276962.db2.gz GTQCZYREVHWCIX-UHFFFAOYSA-N 1 2 305.205 1.809 20 10 DDCDLO CN(C)c1ccc(C2=CC[N@H+](CCCS(C)(=O)=O)C2)cc1 ZINC000374325658 418518587 /nfs/dbraw/zinc/51/85/87/418518587.db2.gz PWKLQNLYCPIBCN-UHFFFAOYSA-N 1 2 308.447 1.886 20 10 DDCDLO CN(C)c1ccc(C2=CC[N@@H+](CCCS(C)(=O)=O)C2)cc1 ZINC000374325658 418518589 /nfs/dbraw/zinc/51/85/89/418518589.db2.gz PWKLQNLYCPIBCN-UHFFFAOYSA-N 1 2 308.447 1.886 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC000377703486 418713564 /nfs/dbraw/zinc/71/35/64/418713564.db2.gz UWXZOHKMFDUNRR-JOYOIKCWSA-N 1 2 301.795 1.665 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC000377703486 418713565 /nfs/dbraw/zinc/71/35/65/418713565.db2.gz UWXZOHKMFDUNRR-JOYOIKCWSA-N 1 2 301.795 1.665 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000377868274 418715389 /nfs/dbraw/zinc/71/53/89/418715389.db2.gz GTUQEGMQDBHQRC-ZDUSSCGKSA-N 1 2 310.369 1.656 20 10 DDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000377868274 418715392 /nfs/dbraw/zinc/71/53/92/418715392.db2.gz GTUQEGMQDBHQRC-ZDUSSCGKSA-N 1 2 310.369 1.656 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c1 ZINC000377870973 418716998 /nfs/dbraw/zinc/71/69/98/418716998.db2.gz XJYSMLCMAZGIKR-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c1 ZINC000377870973 418716999 /nfs/dbraw/zinc/71/69/99/418716999.db2.gz XJYSMLCMAZGIKR-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000378445059 418723085 /nfs/dbraw/zinc/72/30/85/418723085.db2.gz RMOUOAQGYKRINX-QGZVFWFLSA-N 1 2 317.433 1.624 20 10 DDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000378445059 418723088 /nfs/dbraw/zinc/72/30/88/418723088.db2.gz RMOUOAQGYKRINX-QGZVFWFLSA-N 1 2 317.433 1.624 20 10 DDCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)nc1 ZINC000493858845 420960073 /nfs/dbraw/zinc/96/00/73/420960073.db2.gz SGOOLODDBPOUQW-DJWKRKHSSA-N 1 2 313.361 1.318 20 10 DDCDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180153911 524604137 /nfs/dbraw/zinc/60/41/37/524604137.db2.gz NDKNFZHIMWRSAX-SNVBAGLBSA-N 1 2 301.383 1.929 20 10 DDCDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180153911 524604149 /nfs/dbraw/zinc/60/41/49/524604149.db2.gz NDKNFZHIMWRSAX-SNVBAGLBSA-N 1 2 301.383 1.929 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(O)c1O ZINC000182282662 526164257 /nfs/dbraw/zinc/16/42/57/526164257.db2.gz QPMANPIRYGPLLZ-UHFFFAOYSA-N 1 2 308.378 1.247 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(O)c1O ZINC000182282662 526164261 /nfs/dbraw/zinc/16/42/61/526164261.db2.gz QPMANPIRYGPLLZ-UHFFFAOYSA-N 1 2 308.378 1.247 20 10 DDCDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000065425554 696344878 /nfs/dbraw/zinc/34/48/78/696344878.db2.gz HBQPSMJHZXKHNY-AWEZNQCLSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000065425554 696344879 /nfs/dbraw/zinc/34/48/79/696344879.db2.gz HBQPSMJHZXKHNY-AWEZNQCLSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@H]1C[N@H+](CCOC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000800188211 700199719 /nfs/dbraw/zinc/19/97/19/700199719.db2.gz WGGVWHOUZXHEMY-PYEVWLCESA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@H]1C[N@@H+](CCOC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000800188211 700199721 /nfs/dbraw/zinc/19/97/21/700199721.db2.gz WGGVWHOUZXHEMY-PYEVWLCESA-N 1 2 307.346 1.375 20 10 DDCDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)C1CCOCC1 ZINC000789581439 699396915 /nfs/dbraw/zinc/39/69/15/699396915.db2.gz RDBHNUQZKRINJZ-MRXNPFEDSA-N 1 2 323.389 1.849 20 10 DDCDLO CCOCCOC[C@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000792196650 699682357 /nfs/dbraw/zinc/68/23/57/699682357.db2.gz QRCNLJDPJPUQTN-GFCCVEGCSA-N 1 2 303.786 1.549 20 10 DDCDLO COc1ccc(N2CCC[N@H+](Cc3nnc(C)[nH]3)CC2)cc1 ZINC000794288003 699800682 /nfs/dbraw/zinc/80/06/82/699800682.db2.gz BUXMJZZACSAHPS-UHFFFAOYSA-N 1 2 301.394 1.834 20 10 DDCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc(C)[nH]3)CC2)cc1 ZINC000794288003 699800685 /nfs/dbraw/zinc/80/06/85/699800685.db2.gz BUXMJZZACSAHPS-UHFFFAOYSA-N 1 2 301.394 1.834 20 10 DDCDLO COCCCNC(=O)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482601 702094055 /nfs/dbraw/zinc/09/40/55/702094055.db2.gz MFYPLQFCJJTTLK-UHFFFAOYSA-N 1 2 318.776 1.769 20 10 DDCDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482601 702094062 /nfs/dbraw/zinc/09/40/62/702094062.db2.gz MFYPLQFCJJTTLK-UHFFFAOYSA-N 1 2 318.776 1.769 20 10 DDCDLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000868521683 702175577 /nfs/dbraw/zinc/17/55/77/702175577.db2.gz YADVDSZPDWMNJF-NWDGAFQWSA-N 1 2 300.362 1.964 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401248 703026520 /nfs/dbraw/zinc/02/65/20/703026520.db2.gz LCQFBAIAPGMRGM-UHFFFAOYSA-N 1 2 314.451 1.498 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401248 703026524 /nfs/dbraw/zinc/02/65/24/703026524.db2.gz LCQFBAIAPGMRGM-UHFFFAOYSA-N 1 2 314.451 1.498 20 10 DDCDLO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000846036234 703229550 /nfs/dbraw/zinc/22/95/50/703229550.db2.gz YZVFLJPKCZSUAC-SNVBAGLBSA-N 1 2 322.789 1.308 20 10 DDCDLO C[C@H](O)C(=O)N1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835028028 707158654 /nfs/dbraw/zinc/15/86/54/707158654.db2.gz IHDHCSQGNPIJOU-XVWMLYKFSA-N 1 2 317.433 1.291 20 10 DDCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000893871824 710866684 /nfs/dbraw/zinc/86/66/84/710866684.db2.gz MNOQXAUGTRLHGE-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862475300 705721470 /nfs/dbraw/zinc/72/14/70/705721470.db2.gz GOHHGRNNVXKFAY-CQSZACIVSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862475300 705721471 /nfs/dbraw/zinc/72/14/71/705721471.db2.gz GOHHGRNNVXKFAY-CQSZACIVSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876800845 705882034 /nfs/dbraw/zinc/88/20/34/705882034.db2.gz QXSAVJLQEGAELE-UHFFFAOYSA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876800845 705882036 /nfs/dbraw/zinc/88/20/36/705882036.db2.gz QXSAVJLQEGAELE-UHFFFAOYSA-N 1 2 318.417 1.785 20 10 DDCDLO COc1ccc(N2CC[C@@H](Nc3nc(C)[nH+]c(N)n3)C2)cc1 ZINC000865931252 706567780 /nfs/dbraw/zinc/56/77/80/706567780.db2.gz CUNCVBOYVOJQBP-LLVKDONJSA-N 1 2 300.366 1.462 20 10 DDCDLO COc1ccc(N2CC[C@@H](Nc3nc(N)nc(C)[nH+]3)C2)cc1 ZINC000865931252 706567783 /nfs/dbraw/zinc/56/77/83/706567783.db2.gz CUNCVBOYVOJQBP-LLVKDONJSA-N 1 2 300.366 1.462 20 10 DDCDLO CC[C@@H](CO)Nc1cc(NCc2cccc(OC)c2O)[nH+]cn1 ZINC000892289003 710410660 /nfs/dbraw/zinc/41/06/60/710410660.db2.gz ZWYLYAPEVVPLMM-LBPRGKRZSA-N 1 2 318.377 1.986 20 10 DDCDLO CC[C@@H](CO)Nc1cc(NCc2cccc(OC)c2O)nc[nH+]1 ZINC000892289003 710410662 /nfs/dbraw/zinc/41/06/62/710410662.db2.gz ZWYLYAPEVVPLMM-LBPRGKRZSA-N 1 2 318.377 1.986 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nnn(C)c21 ZINC001203621907 744265717 /nfs/dbraw/zinc/26/57/17/744265717.db2.gz JTTUGQPVRVSRGC-LBPRGKRZSA-N 1 2 318.377 1.275 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nnn(C)c21 ZINC001203621907 744265719 /nfs/dbraw/zinc/26/57/19/744265719.db2.gz JTTUGQPVRVSRGC-LBPRGKRZSA-N 1 2 318.377 1.275 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC001270933395 843062694 /nfs/dbraw/zinc/06/26/94/843062694.db2.gz VNHGVMPKISUCJP-ICHOQEBTSA-N 1 2 315.417 1.307 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC001270933395 843062699 /nfs/dbraw/zinc/06/26/99/843062699.db2.gz VNHGVMPKISUCJP-ICHOQEBTSA-N 1 2 315.417 1.307 20 10 DDCDLO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276354077 855710726 /nfs/dbraw/zinc/71/07/26/855710726.db2.gz GNNXEDHIVRTAMG-BETUJISGSA-N 1 2 321.396 1.268 20 10 DDCDLO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276354077 855710729 /nfs/dbraw/zinc/71/07/29/855710729.db2.gz GNNXEDHIVRTAMG-BETUJISGSA-N 1 2 321.396 1.268 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001140747680 860691534 /nfs/dbraw/zinc/69/15/34/860691534.db2.gz FMLIPLFOMBACCX-ZSOGYDGISA-N 1 2 321.373 1.559 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(O)c(C)c1O ZINC001140747680 860691539 /nfs/dbraw/zinc/69/15/39/860691539.db2.gz FMLIPLFOMBACCX-ZSOGYDGISA-N 1 2 321.373 1.559 20 10 DDCDLO Cc1ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001140951044 860744852 /nfs/dbraw/zinc/74/48/52/860744852.db2.gz VSUMHHOHSVRSKZ-UHFFFAOYSA-N 1 2 304.390 1.524 20 10 DDCDLO Cc1ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001140951044 860744858 /nfs/dbraw/zinc/74/48/58/860744858.db2.gz VSUMHHOHSVRSKZ-UHFFFAOYSA-N 1 2 304.390 1.524 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CC(N4CCOCC4)C3)ccc21 ZINC001141143065 860793762 /nfs/dbraw/zinc/79/37/62/860793762.db2.gz LXICRPDYOHJLDK-UHFFFAOYSA-N 1 2 303.406 1.032 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001141145588 860795583 /nfs/dbraw/zinc/79/55/83/860795583.db2.gz WSHYXBCFMMDSSE-AWEZNQCLSA-N 1 2 324.446 1.524 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001141145588 860795587 /nfs/dbraw/zinc/79/55/87/860795587.db2.gz WSHYXBCFMMDSSE-AWEZNQCLSA-N 1 2 324.446 1.524 20 10 DDCDLO OCCCOCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001338188465 869859130 /nfs/dbraw/zinc/85/91/30/869859130.db2.gz YXBRFCGYKDTIIM-UHFFFAOYSA-N 1 2 322.174 1.782 20 10 DDCDLO COc1ccc(O)c(C[NH+]2CC3(C2)CC[C@H](C(=O)N(C)C)O3)c1 ZINC001277463330 884746673 /nfs/dbraw/zinc/74/66/73/884746673.db2.gz JEELAMZFVLGLEC-OAHLLOKOSA-N 1 2 320.389 1.222 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCC1=O ZINC001231843503 885902889 /nfs/dbraw/zinc/90/28/89/885902889.db2.gz ZVBZNSXIZXWDFO-AWEZNQCLSA-N 1 2 305.374 1.963 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)CCC1=O ZINC001231843503 885902899 /nfs/dbraw/zinc/90/28/99/885902899.db2.gz ZVBZNSXIZXWDFO-AWEZNQCLSA-N 1 2 305.374 1.963 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)cc1Cl ZINC001232260387 886192842 /nfs/dbraw/zinc/19/28/42/886192842.db2.gz OZDQCVAVMCMBQU-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238066053 890008224 /nfs/dbraw/zinc/00/82/24/890008224.db2.gz HKAOEHHMNZJENP-AWEZNQCLSA-N 1 2 311.353 1.994 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238066053 890008241 /nfs/dbraw/zinc/00/82/41/890008241.db2.gz HKAOEHHMNZJENP-AWEZNQCLSA-N 1 2 311.353 1.994 20 10 DDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001263894393 900804034 /nfs/dbraw/zinc/80/40/34/900804034.db2.gz DTYNTQCOFXFIKZ-AWEZNQCLSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001263894393 900804046 /nfs/dbraw/zinc/80/40/46/900804046.db2.gz DTYNTQCOFXFIKZ-AWEZNQCLSA-N 1 2 320.389 1.357 20 10 DDCDLO Cn1nc2n(c1=O)CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000091965646 353839851 /nfs/dbraw/zinc/83/98/51/353839851.db2.gz BUZZSVQEZJVRPK-UHFFFAOYSA-N 1 2 310.357 1.456 20 10 DDCDLO Cn1nc2n(c1=O)CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000091965646 353839852 /nfs/dbraw/zinc/83/98/52/353839852.db2.gz BUZZSVQEZJVRPK-UHFFFAOYSA-N 1 2 310.357 1.456 20 10 DDCDLO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)c(F)c1O ZINC000187671070 299275503 /nfs/dbraw/zinc/27/55/03/299275503.db2.gz APHHOQJTBDCLOM-LURJTMIESA-N 1 2 312.238 2.000 20 10 DDCDLO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(F)c(F)c1O ZINC000187831702 296115657 /nfs/dbraw/zinc/11/56/57/296115657.db2.gz GXINAKNVSBKWCE-SECBINFHSA-N 1 2 300.305 1.180 20 10 DDCDLO Cc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C(=O)C2)c1 ZINC000289586455 131399111 /nfs/dbraw/zinc/39/91/11/131399111.db2.gz KGBGWDBNEFFACJ-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO Cc1ccc(O)c(C[N@H+]2CCN(CC(F)(F)F)C(=O)C2)c1 ZINC000289586455 131399113 /nfs/dbraw/zinc/39/91/13/131399113.db2.gz KGBGWDBNEFFACJ-UHFFFAOYSA-N 1 2 302.296 1.907 20 10 DDCDLO COc1ccnc(N2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC000272329336 407869912 /nfs/dbraw/zinc/86/99/12/407869912.db2.gz VUEOUDHYPYXVLF-UHFFFAOYSA-N 1 2 318.352 1.652 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+](C)CCS(C)(=O)=O)c1O ZINC000184679909 408669185 /nfs/dbraw/zinc/66/91/85/408669185.db2.gz KENWTVCHEGRNRD-UHFFFAOYSA-N 1 2 307.799 1.531 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+](C)CCS(C)(=O)=O)c1O ZINC000184679909 408669189 /nfs/dbraw/zinc/66/91/89/408669189.db2.gz KENWTVCHEGRNRD-UHFFFAOYSA-N 1 2 307.799 1.531 20 10 DDCDLO Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(O)c1O ZINC000177659373 408681117 /nfs/dbraw/zinc/68/11/17/408681117.db2.gz ZVZXKEGPLHBXEE-UHFFFAOYSA-N 1 2 313.357 1.764 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000276307831 408833083 /nfs/dbraw/zinc/83/30/83/408833083.db2.gz VIHVHBIEJAVXEU-ZBFHGGJFSA-N 1 2 323.389 1.679 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)c(O)c1 ZINC000276307831 408833086 /nfs/dbraw/zinc/83/30/86/408833086.db2.gz VIHVHBIEJAVXEU-ZBFHGGJFSA-N 1 2 323.389 1.679 20 10 DDCDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278920207 409113705 /nfs/dbraw/zinc/11/37/05/409113705.db2.gz RSQQIKUTUPHOKC-UHFFFAOYSA-N 1 2 314.389 1.414 20 10 DDCDLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278920207 409113706 /nfs/dbraw/zinc/11/37/06/409113706.db2.gz RSQQIKUTUPHOKC-UHFFFAOYSA-N 1 2 314.389 1.414 20 10 DDCDLO C[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1=O ZINC000289681840 409284756 /nfs/dbraw/zinc/28/47/56/409284756.db2.gz CMPSVJHQSWBWGF-GFCCVEGCSA-N 1 2 300.152 1.950 20 10 DDCDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000296166695 409451650 /nfs/dbraw/zinc/45/16/50/409451650.db2.gz TVDHLIKKRIUANN-ZYHUDNBSSA-N 1 2 324.352 1.172 20 10 DDCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000295406855 409471449 /nfs/dbraw/zinc/47/14/49/409471449.db2.gz WAXZRMNPUOIMOL-QWRGUYRKSA-N 1 2 324.352 1.172 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CCn1cc[nH+]c1 ZINC000266364739 222361578 /nfs/dbraw/zinc/36/15/78/222361578.db2.gz SPNGFLGLFPSFAM-UHFFFAOYSA-N 1 2 300.362 1.765 20 10 DDCDLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368021390 418675052 /nfs/dbraw/zinc/67/50/52/418675052.db2.gz RGUBLXAPKZIFGI-LBPRGKRZSA-N 1 2 314.382 1.187 20 10 DDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000296645274 287863377 /nfs/dbraw/zinc/86/33/77/287863377.db2.gz YKZHBLYYEKTZQV-RKDXNWHRSA-N 1 2 322.377 1.649 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCCn2cc[nH+]c2)c1 ZINC000171409111 697358141 /nfs/dbraw/zinc/35/81/41/697358141.db2.gz UKUUZXFEBQAALS-LLVKDONJSA-N 1 2 304.350 1.658 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773756719 697801145 /nfs/dbraw/zinc/80/11/45/697801145.db2.gz YKFNCDMWOOTQBQ-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773756719 697801149 /nfs/dbraw/zinc/80/11/49/697801149.db2.gz YKFNCDMWOOTQBQ-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000396840876 699113545 /nfs/dbraw/zinc/11/35/45/699113545.db2.gz GAXLHIVGPPUGKE-RISCZKNCSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000396840876 699113547 /nfs/dbraw/zinc/11/35/47/699113547.db2.gz GAXLHIVGPPUGKE-RISCZKNCSA-N 1 2 313.781 1.423 20 10 DDCDLO OCCOCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715744598 699276690 /nfs/dbraw/zinc/27/66/90/699276690.db2.gz GKFIOTMWZNHGOT-UHFFFAOYSA-N 1 2 322.174 1.782 20 10 DDCDLO CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc(Cl)c1O ZINC000840803994 702243285 /nfs/dbraw/zinc/24/32/85/702243285.db2.gz XHYJGXCSKMXNCB-GWCFXTLKSA-N 1 2 310.785 1.739 20 10 DDCDLO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(F)cc(F)c1O ZINC000840885820 702271353 /nfs/dbraw/zinc/27/13/53/702271353.db2.gz ZDGYYDQIGWTOOZ-QMMMGPOBSA-N 1 2 305.346 1.898 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840916991 702278763 /nfs/dbraw/zinc/27/87/63/702278763.db2.gz DYNSSSRIJMGFKV-INIZCTEOSA-N 1 2 306.406 1.825 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840916991 702278767 /nfs/dbraw/zinc/27/87/67/702278767.db2.gz DYNSSSRIJMGFKV-INIZCTEOSA-N 1 2 306.406 1.825 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(OC)c1 ZINC000879461577 706685985 /nfs/dbraw/zinc/68/59/85/706685985.db2.gz FUBFRFBBKGILBK-OAHLLOKOSA-N 1 2 319.405 1.057 20 10 DDCDLO COc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1O ZINC000844133031 702976000 /nfs/dbraw/zinc/97/60/00/702976000.db2.gz QKWNRFBCEIEWPI-GFCCVEGCSA-N 1 2 301.346 1.476 20 10 DDCDLO CN(C)c1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1F ZINC000850384391 703728510 /nfs/dbraw/zinc/72/85/10/703728510.db2.gz UWJMRLGRUJRWJW-UHFFFAOYSA-N 1 2 308.382 1.737 20 10 DDCDLO CCN1OC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000851717010 703835652 /nfs/dbraw/zinc/83/56/52/703835652.db2.gz UGKIJSZROJZZFC-INIZCTEOSA-N 1 2 319.405 1.117 20 10 DDCDLO CCN1OC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000851717010 703835653 /nfs/dbraw/zinc/83/56/53/703835653.db2.gz UGKIJSZROJZZFC-INIZCTEOSA-N 1 2 319.405 1.117 20 10 DDCDLO O=C1CN(Cc2ccccc2O)C(=O)N1CCn1cc[nH+]c1 ZINC000819166379 704079467 /nfs/dbraw/zinc/07/94/67/704079467.db2.gz VTZNJJSEAAGDFP-UHFFFAOYSA-N 1 2 300.318 1.053 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000858283890 704689678 /nfs/dbraw/zinc/68/96/78/704689678.db2.gz UMRTYJMRPOUUBX-ZDUSSCGKSA-N 1 2 307.394 1.221 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000858283890 704689680 /nfs/dbraw/zinc/68/96/80/704689680.db2.gz UMRTYJMRPOUUBX-ZDUSSCGKSA-N 1 2 307.394 1.221 20 10 DDCDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826985607 705906506 /nfs/dbraw/zinc/90/65/06/705906506.db2.gz ISPNBSAVHXYQGX-JQWIXIFHSA-N 1 2 323.773 1.086 20 10 DDCDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(F)c(F)c1O ZINC000877458403 706112372 /nfs/dbraw/zinc/11/23/72/706112372.db2.gz RZCSQNKBDMRBAB-LLVKDONJSA-N 1 2 314.376 1.947 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(F)c(F)c1O ZINC000877458403 706112374 /nfs/dbraw/zinc/11/23/74/706112374.db2.gz RZCSQNKBDMRBAB-LLVKDONJSA-N 1 2 314.376 1.947 20 10 DDCDLO OCc1cn([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877551634 706140420 /nfs/dbraw/zinc/14/04/20/706140420.db2.gz IBOVMRXKUVKVQR-LBPRGKRZSA-N 1 2 324.331 1.591 20 10 DDCDLO OCc1cn([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877551634 706140422 /nfs/dbraw/zinc/14/04/22/706140422.db2.gz IBOVMRXKUVKVQR-LBPRGKRZSA-N 1 2 324.331 1.591 20 10 DDCDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC000877715320 706187028 /nfs/dbraw/zinc/18/70/28/706187028.db2.gz VSHWSUAQFFVRBA-OAHLLOKOSA-N 1 2 324.764 1.939 20 10 DDCDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC000877715320 706187031 /nfs/dbraw/zinc/18/70/31/706187031.db2.gz VSHWSUAQFFVRBA-OAHLLOKOSA-N 1 2 324.764 1.939 20 10 DDCDLO Cc1cc(N(C)C)ccc1C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000877790086 706214784 /nfs/dbraw/zinc/21/47/84/706214784.db2.gz RCZYTNHTHXPUIL-OAQYLSRUSA-N 1 2 310.467 1.770 20 10 DDCDLO CN(C)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CCOCC1 ZINC000883000247 707890824 /nfs/dbraw/zinc/89/08/24/707890824.db2.gz SZZPWUHQVDOWGV-UHFFFAOYSA-N 1 2 300.349 1.871 20 10 DDCDLO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CC2 ZINC000897345223 708299061 /nfs/dbraw/zinc/29/90/61/708299061.db2.gz JEQDJKGYHSMJKB-JTQLQIEISA-N 1 2 310.760 1.960 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNc1cccc[nH+]1 ZINC000907274380 712530159 /nfs/dbraw/zinc/53/01/59/712530159.db2.gz PXMIGFZWEPRZTO-LLVKDONJSA-N 1 2 301.346 1.652 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccccc1O ZINC000915517957 713422027 /nfs/dbraw/zinc/42/20/27/713422027.db2.gz NJKCORTWEYCOOR-AWEZNQCLSA-N 1 2 307.394 1.302 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccncn2)CC1 ZINC001142527200 742145697 /nfs/dbraw/zinc/14/56/97/742145697.db2.gz OAJAVOXQNYJGRX-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO CC(C)c1ccc(O)c(C[NH+]2CC(O)(c3ncnn3C)C2)c1 ZINC001183560969 743856699 /nfs/dbraw/zinc/85/66/99/743856699.db2.gz MFRRTMZRMYVDOT-UHFFFAOYSA-N 1 2 302.378 1.348 20 10 DDCDLO Cc1ccc(O)c(C[NH+]2CC3(C2)CN(CC(C)C)C(=O)CO3)c1 ZINC001272623128 846421618 /nfs/dbraw/zinc/42/16/18/846421618.db2.gz XMBTZLUGHPZIGQ-UHFFFAOYSA-N 1 2 318.417 1.770 20 10 DDCDLO CN1C[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3F)C2)OCC1=O ZINC001274148972 851976088 /nfs/dbraw/zinc/97/60/88/851976088.db2.gz DFRUDGVDRFXXEG-HNNXBMFYSA-N 1 2 312.316 1.104 20 10 DDCDLO CN1C[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)OCC1=O ZINC001274148972 851976096 /nfs/dbraw/zinc/97/60/96/851976096.db2.gz DFRUDGVDRFXXEG-HNNXBMFYSA-N 1 2 312.316 1.104 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276359302 855715646 /nfs/dbraw/zinc/71/56/46/855715646.db2.gz HMZKGSROFIKXEE-TXEJJXNPSA-N 1 2 307.369 1.908 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276359302 855715653 /nfs/dbraw/zinc/71/56/53/855715653.db2.gz HMZKGSROFIKXEE-TXEJJXNPSA-N 1 2 307.369 1.908 20 10 DDCDLO N#CN1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140288894 860612539 /nfs/dbraw/zinc/61/25/39/860612539.db2.gz YHLKZVPKYZCKOA-UHFFFAOYSA-N 1 2 300.406 1.246 20 10 DDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC001140288236 860612693 /nfs/dbraw/zinc/61/26/93/860612693.db2.gz LNVDOWSPAJQLMW-SFHVURJKSA-N 1 2 318.417 1.438 20 10 DDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC001140288236 860612697 /nfs/dbraw/zinc/61/26/97/860612697.db2.gz LNVDOWSPAJQLMW-SFHVURJKSA-N 1 2 318.417 1.438 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635651 867707119 /nfs/dbraw/zinc/70/71/19/867707119.db2.gz CQXKZTYMZBQHHC-SJORKVTESA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635651 867707134 /nfs/dbraw/zinc/70/71/34/867707134.db2.gz CQXKZTYMZBQHHC-SJORKVTESA-N 1 2 318.417 1.785 20 10 DDCDLO Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c(O)c1O ZINC001325078451 867750580 /nfs/dbraw/zinc/75/05/80/867750580.db2.gz XNSWFNGGUHSPKJ-UHFFFAOYSA-N 1 2 321.421 1.162 20 10 DDCDLO COc1cc(C[N@H+](C)C2CCS(=O)(=O)CC2)cc(O)c1O ZINC001204346155 871066906 /nfs/dbraw/zinc/06/69/06/871066906.db2.gz LTAARFZKMZRDLP-UHFFFAOYSA-N 1 2 315.391 1.115 20 10 DDCDLO COc1cc(C[N@@H+](C)C2CCS(=O)(=O)CC2)cc(O)c1O ZINC001204346155 871066922 /nfs/dbraw/zinc/06/69/22/871066922.db2.gz LTAARFZKMZRDLP-UHFFFAOYSA-N 1 2 315.391 1.115 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001343496437 872649285 /nfs/dbraw/zinc/64/92/85/872649285.db2.gz ZYNYEFARLBBROT-HOTGVXAUSA-N 1 2 305.422 1.774 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001343496437 872649298 /nfs/dbraw/zinc/64/92/98/872649298.db2.gz ZYNYEFARLBBROT-HOTGVXAUSA-N 1 2 305.422 1.774 20 10 DDCDLO COc1cc(C[NH+]2CC(Oc3cccnc3)C2)c(O)cc1O ZINC001231635021 885771409 /nfs/dbraw/zinc/77/14/09/885771409.db2.gz CVVQEANWOWQIHV-UHFFFAOYSA-N 1 2 302.330 1.765 20 10 DDCDLO COc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)cc1O ZINC001231636563 885771738 /nfs/dbraw/zinc/77/17/38/885771738.db2.gz YEABBZZCMPMFBB-UHFFFAOYSA-N 1 2 320.311 1.786 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231636968 885772420 /nfs/dbraw/zinc/77/24/20/885772420.db2.gz BWGUQQWUXJIVBD-UHFFFAOYSA-N 1 2 310.350 1.381 20 10 DDCDLO COC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195493 886152888 /nfs/dbraw/zinc/15/28/88/886152888.db2.gz VPYQNGUJZDDMKF-UHFFFAOYSA-N 1 2 324.808 1.781 20 10 DDCDLO OC[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237077483 889493794 /nfs/dbraw/zinc/49/37/94/889493794.db2.gz IBZIIUWIYBUVMW-PRHODGIISA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237077483 889493802 /nfs/dbraw/zinc/49/38/02/889493802.db2.gz IBZIIUWIYBUVMW-PRHODGIISA-N 1 2 306.189 1.874 20 10 DDCDLO C[NH+](C)Cc1nc(CNC(=O)/C=C/c2ccc(O)c(O)c2)co1 ZINC001263955773 900840275 /nfs/dbraw/zinc/84/02/75/900840275.db2.gz DAEIQAYLZNHITA-GQCTYLIASA-N 1 2 317.345 1.477 20 10 DDCDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000373696515 223666880 /nfs/dbraw/zinc/66/68/80/223666880.db2.gz OJSXSHHLIKMJCC-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000298243240 132052279 /nfs/dbraw/zinc/05/22/79/132052279.db2.gz SIIPZIMZUDFCDQ-SJORKVTESA-N 1 2 317.433 1.622 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000298243240 132052281 /nfs/dbraw/zinc/05/22/81/132052281.db2.gz SIIPZIMZUDFCDQ-SJORKVTESA-N 1 2 317.433 1.622 20 10 DDCDLO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000276490320 408869279 /nfs/dbraw/zinc/86/92/79/408869279.db2.gz QBCAJMTWQKXNRE-MRVPVSSYSA-N 1 2 318.160 1.419 20 10 DDCDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(O)c1O ZINC000279382324 409203812 /nfs/dbraw/zinc/20/38/12/409203812.db2.gz UKSWYYIJNRQPAD-UHFFFAOYSA-N 1 2 308.378 1.281 20 10 DDCDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(O)c1O ZINC000279382324 409203813 /nfs/dbraw/zinc/20/38/13/409203813.db2.gz UKSWYYIJNRQPAD-UHFFFAOYSA-N 1 2 308.378 1.281 20 10 DDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000295024165 409309246 /nfs/dbraw/zinc/30/92/46/409309246.db2.gz HRGXFAJROQYLQA-UHFFFAOYSA-N 1 2 312.341 1.078 20 10 DDCDLO CC1(C)COCC[N@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000295024165 409309250 /nfs/dbraw/zinc/30/92/50/409309250.db2.gz HRGXFAJROQYLQA-UHFFFAOYSA-N 1 2 312.341 1.078 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)c1 ZINC000362375172 418753334 /nfs/dbraw/zinc/75/33/34/418753334.db2.gz BLLFDRHYMNMPLV-KGLIPLIRSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)c1 ZINC000362375172 418753336 /nfs/dbraw/zinc/75/33/36/418753336.db2.gz BLLFDRHYMNMPLV-KGLIPLIRSA-N 1 2 309.362 1.553 20 10 DDCDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(N(C)C)cc3)C2)nn1 ZINC000371560681 418800948 /nfs/dbraw/zinc/80/09/48/418800948.db2.gz FSBAILAJJAOLIY-GFCCVEGCSA-N 1 2 301.394 1.454 20 10 DDCDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000372153336 418840627 /nfs/dbraw/zinc/84/06/27/418840627.db2.gz UACVFZLFMWHITD-HNNXBMFYSA-N 1 2 322.405 1.518 20 10 DDCDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000372153336 418840629 /nfs/dbraw/zinc/84/06/29/418840629.db2.gz UACVFZLFMWHITD-HNNXBMFYSA-N 1 2 322.405 1.518 20 10 DDCDLO CN(C)c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000265418844 522214689 /nfs/dbraw/zinc/21/46/89/522214689.db2.gz IAXNJLSJPJQWTN-UHFFFAOYSA-N 1 2 313.405 1.991 20 10 DDCDLO CN(C)c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000265418844 522214697 /nfs/dbraw/zinc/21/46/97/522214697.db2.gz IAXNJLSJPJQWTN-UHFFFAOYSA-N 1 2 313.405 1.991 20 10 DDCDLO Cn1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)nn1 ZINC000715713497 699276043 /nfs/dbraw/zinc/27/60/43/699276043.db2.gz QMRFDNXMYHWPTN-UHFFFAOYSA-N 1 2 315.146 1.712 20 10 DDCDLO CC[N@H+](CC(=O)NC)Cc1cc(Br)cc(F)c1O ZINC000715723076 699276762 /nfs/dbraw/zinc/27/67/62/699276762.db2.gz DXYZNPNGPPUROE-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CC[N@@H+](CC(=O)NC)Cc1cc(Br)cc(F)c1O ZINC000715723076 699276763 /nfs/dbraw/zinc/27/67/63/699276763.db2.gz DXYZNPNGPPUROE-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000729492601 699480125 /nfs/dbraw/zinc/48/01/25/699480125.db2.gz GIRRDUMWLFEFBH-CQSZACIVSA-N 1 2 320.437 1.273 20 10 DDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000729492601 699480126 /nfs/dbraw/zinc/48/01/26/699480126.db2.gz GIRRDUMWLFEFBH-CQSZACIVSA-N 1 2 320.437 1.273 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000844223926 702996592 /nfs/dbraw/zinc/99/65/92/702996592.db2.gz BAKOUPZFLHRMOH-IAGOWNOFSA-N 1 2 318.465 1.571 20 10 DDCDLO Cn1c[nH+]c(CCNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000845253843 703134236 /nfs/dbraw/zinc/13/42/36/703134236.db2.gz RPVHXLWSNCNOGK-UHFFFAOYSA-N 1 2 308.769 1.821 20 10 DDCDLO O=C(NCc1c[nH+]c2n1CCCC2)c1c(F)ccc(O)c1O ZINC000831550749 706729815 /nfs/dbraw/zinc/72/98/15/706729815.db2.gz QNJAZBKMWORXFK-UHFFFAOYSA-N 1 2 305.309 1.700 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000855230318 704474195 /nfs/dbraw/zinc/47/41/95/704474195.db2.gz GERUSKNVXVDXGA-CQSZACIVSA-N 1 2 314.389 1.677 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1O ZINC000855411757 704483701 /nfs/dbraw/zinc/48/37/01/704483701.db2.gz QKTJWDGVQZUSPF-NWDGAFQWSA-N 1 2 308.378 1.245 20 10 DDCDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1O ZINC000855411757 704483702 /nfs/dbraw/zinc/48/37/02/704483702.db2.gz QKTJWDGVQZUSPF-NWDGAFQWSA-N 1 2 308.378 1.245 20 10 DDCDLO COCCOCC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000862468307 705720594 /nfs/dbraw/zinc/72/05/94/705720594.db2.gz GRFGRWXQDKGUEU-UHFFFAOYSA-N 1 2 303.786 1.503 20 10 DDCDLO COCCOCC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000862468307 705720598 /nfs/dbraw/zinc/72/05/98/705720598.db2.gz GRFGRWXQDKGUEU-UHFFFAOYSA-N 1 2 303.786 1.503 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](F)C3)CC2)cc1 ZINC000830462286 706521833 /nfs/dbraw/zinc/52/18/33/706521833.db2.gz PZFVTYNVWAJDCR-AWEZNQCLSA-N 1 2 321.396 1.388 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](F)C3)CC2)cc1 ZINC000830462286 706521836 /nfs/dbraw/zinc/52/18/36/706521836.db2.gz PZFVTYNVWAJDCR-AWEZNQCLSA-N 1 2 321.396 1.388 20 10 DDCDLO CC[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cccc(Cl)c1O ZINC000927024464 712932167 /nfs/dbraw/zinc/93/21/67/712932167.db2.gz KVYSNVIFZIDJHG-SKDRFNHKSA-N 1 2 321.826 1.492 20 10 DDCDLO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000883374902 707987140 /nfs/dbraw/zinc/98/71/40/707987140.db2.gz VCISPYVSMOVOGX-SZEHBUNVSA-N 1 2 305.346 1.897 20 10 DDCDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000839196684 708035580 /nfs/dbraw/zinc/03/55/80/708035580.db2.gz QGZDZCHOUYQWQE-CYBMUJFWSA-N 1 2 315.421 1.453 20 10 DDCDLO C[NH+](C)Cc1csc(CNC(=O)c2cccc(O)c2O)n1 ZINC000927767078 713051343 /nfs/dbraw/zinc/05/13/43/713051343.db2.gz RLIMMDGSHYMXNT-UHFFFAOYSA-N 1 2 307.375 1.546 20 10 DDCDLO CCN1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C(C)(C)C1=O ZINC000893710822 710790302 /nfs/dbraw/zinc/79/03/02/710790302.db2.gz KLVNDCKBRLKANY-UHFFFAOYSA-N 1 2 322.405 1.852 20 10 DDCDLO CCN1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C(C)(C)C1=O ZINC000893710822 710790307 /nfs/dbraw/zinc/79/03/07/710790307.db2.gz KLVNDCKBRLKANY-UHFFFAOYSA-N 1 2 322.405 1.852 20 10 DDCDLO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(F)cc(F)c2O)[nH]1 ZINC000922408286 714044900 /nfs/dbraw/zinc/04/49/00/714044900.db2.gz LMYAJKXQGWBBTJ-YMTOWFKASA-N 1 2 324.331 1.964 20 10 DDCDLO C[C@H]([NH2+][C@@H]1CNOC1)c1cc(Br)cc(F)c1O ZINC000925862167 714953469 /nfs/dbraw/zinc/95/34/69/714953469.db2.gz MTRUPFUJLMKGBE-POYBYMJQSA-N 1 2 305.147 1.848 20 10 DDCDLO NC(=O)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC001202528554 749225716 /nfs/dbraw/zinc/22/57/16/749225716.db2.gz PDEGEUQJJCHFQE-QGZVFWFLSA-N 1 2 310.401 1.998 20 10 DDCDLO COC(=O)c1c(OC)cc[nH+]c1NCc1ccc(O)c(O)c1 ZINC001169993451 763584450 /nfs/dbraw/zinc/58/44/50/763584450.db2.gz PKRUHGSDPZHJTC-UHFFFAOYSA-N 1 2 304.302 1.900 20 10 DDCDLO CCNC(=O)C[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144299466 772471790 /nfs/dbraw/zinc/47/17/90/772471790.db2.gz XLSPWKCTOVVDFP-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CCNC(=O)C[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144299466 772471793 /nfs/dbraw/zinc/47/17/93/772471793.db2.gz XLSPWKCTOVVDFP-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172914711 776929201 /nfs/dbraw/zinc/92/92/01/776929201.db2.gz KJQANFMCQJMQQJ-RDBSUJKOSA-N 1 2 323.389 1.729 20 10 DDCDLO Oc1ccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cc1O ZINC001275821377 853817104 /nfs/dbraw/zinc/81/71/04/853817104.db2.gz OZAQCRQNJWKCJV-UHFFFAOYSA-N 1 2 300.362 1.139 20 10 DDCDLO Oc1ccc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)cc1O ZINC001275821377 853817109 /nfs/dbraw/zinc/81/71/09/853817109.db2.gz OZAQCRQNJWKCJV-UHFFFAOYSA-N 1 2 300.362 1.139 20 10 DDCDLO Oc1cccc(F)c1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001276354129 855710227 /nfs/dbraw/zinc/71/02/27/855710227.db2.gz ITZSNNLPDXCLQM-UHFFFAOYSA-N 1 2 316.380 1.962 20 10 DDCDLO CN1CCN(C2C[NH+](Cc3ccc(Cl)cc3O)C2)CC1=O ZINC001140466090 860638929 /nfs/dbraw/zinc/63/89/29/860638929.db2.gz WWUTTYOTRAJYLD-UHFFFAOYSA-N 1 2 309.797 1.004 20 10 DDCDLO O=C(c1cccnc1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161492 860799128 /nfs/dbraw/zinc/79/91/28/860799128.db2.gz RYQDJNMVAWKFJA-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO CN1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@H](C1)O2 ZINC001276505237 872967050 /nfs/dbraw/zinc/96/70/50/872967050.db2.gz HIBXMOWWKIORPC-BETUJISGSA-N 1 2 316.323 1.926 20 10 DDCDLO CN1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@H](C1)O2 ZINC001276505237 872967059 /nfs/dbraw/zinc/96/70/59/872967059.db2.gz HIBXMOWWKIORPC-BETUJISGSA-N 1 2 316.323 1.926 20 10 DDCDLO C[N@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3O)C[C@@H](C1)O2 ZINC001276505237 872967066 /nfs/dbraw/zinc/96/70/66/872967066.db2.gz HIBXMOWWKIORPC-BETUJISGSA-N 1 2 316.323 1.926 20 10 DDCDLO C[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3O)C[C@@H](C1)O2 ZINC001276505237 872967079 /nfs/dbraw/zinc/96/70/79/872967079.db2.gz HIBXMOWWKIORPC-BETUJISGSA-N 1 2 316.323 1.926 20 10 DDCDLO COC(=O)C1C[NH+](Cc2ccc(Br)cc2O)C1 ZINC001207783684 873558023 /nfs/dbraw/zinc/55/80/23/873558023.db2.gz MOIYMNAWQXOSBG-UHFFFAOYSA-N 1 2 300.152 1.760 20 10 DDCDLO C[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccccc1O ZINC001352218556 876651725 /nfs/dbraw/zinc/65/17/25/876651725.db2.gz DHHPKKFYWACAHD-ZIAGYGMSSA-N 1 2 320.437 1.388 20 10 DDCDLO O=C(Nc1nnco1)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277484808 885196773 /nfs/dbraw/zinc/19/67/73/885196773.db2.gz UCLVPBYXEDZIIQ-JTQLQIEISA-N 1 2 318.308 1.375 20 10 DDCDLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001277489446 885268731 /nfs/dbraw/zinc/26/87/31/885268731.db2.gz RVQGSPHLXUAPJR-UHFFFAOYSA-N 1 2 318.352 1.515 20 10 DDCDLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001277489446 885268745 /nfs/dbraw/zinc/26/87/45/885268745.db2.gz RVQGSPHLXUAPJR-UHFFFAOYSA-N 1 2 318.352 1.515 20 10 DDCDLO COc1cnc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001231940312 885964443 /nfs/dbraw/zinc/96/44/43/885964443.db2.gz YWMNKIQYQHLYMS-UHFFFAOYSA-N 1 2 301.346 1.845 20 10 DDCDLO COc1cnc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001231940312 885964460 /nfs/dbraw/zinc/96/44/60/885964460.db2.gz YWMNKIQYQHLYMS-UHFFFAOYSA-N 1 2 301.346 1.845 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1OC ZINC001236751091 889329438 /nfs/dbraw/zinc/32/94/38/889329438.db2.gz BZEGGFKJOWLASP-TXEJJXNPSA-N 1 2 307.346 1.057 20 10 DDCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1OC ZINC001236751091 889329451 /nfs/dbraw/zinc/32/94/51/889329451.db2.gz BZEGGFKJOWLASP-TXEJJXNPSA-N 1 2 307.346 1.057 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236782796 889352739 /nfs/dbraw/zinc/35/27/39/889352739.db2.gz FHLOBUQJHGQXNA-AWEZNQCLSA-N 1 2 305.374 1.909 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(CC)cc2O)C1 ZINC001236782796 889352752 /nfs/dbraw/zinc/35/27/52/889352752.db2.gz FHLOBUQJHGQXNA-AWEZNQCLSA-N 1 2 305.374 1.909 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(CC)cc2O)CCC1=O ZINC001236782796 889352759 /nfs/dbraw/zinc/35/27/59/889352759.db2.gz FHLOBUQJHGQXNA-AWEZNQCLSA-N 1 2 305.374 1.909 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(CC)cc2O)CCC1=O ZINC001236782796 889352774 /nfs/dbraw/zinc/35/27/74/889352774.db2.gz FHLOBUQJHGQXNA-AWEZNQCLSA-N 1 2 305.374 1.909 20 10 DDCDLO CC(C)NC(=O)OC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000297520639 132020510 /nfs/dbraw/zinc/02/05/10/132020510.db2.gz YCKLGLXHDLIHTE-UHFFFAOYSA-N 1 2 308.334 1.440 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOCC2(C)C)cc1 ZINC000298047391 132045284 /nfs/dbraw/zinc/04/52/84/132045284.db2.gz HKDURLPBIUKBEO-UHFFFAOYSA-N 1 2 305.422 1.480 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOCC2(C)C)cc1 ZINC000298047391 132045286 /nfs/dbraw/zinc/04/52/86/132045286.db2.gz HKDURLPBIUKBEO-UHFFFAOYSA-N 1 2 305.422 1.480 20 10 DDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccccc1O ZINC000264088731 408363937 /nfs/dbraw/zinc/36/39/37/408363937.db2.gz ZKOMBSZCLWIKKM-UHFFFAOYSA-N 1 2 307.394 1.302 20 10 DDCDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccccc1O ZINC000264088731 408363941 /nfs/dbraw/zinc/36/39/41/408363941.db2.gz ZKOMBSZCLWIKKM-UHFFFAOYSA-N 1 2 307.394 1.302 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000184702092 408671075 /nfs/dbraw/zinc/67/10/75/408671075.db2.gz MSQOEFPBLXICBH-LLVKDONJSA-N 1 2 311.769 1.264 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000184702092 408671078 /nfs/dbraw/zinc/67/10/78/408671078.db2.gz MSQOEFPBLXICBH-LLVKDONJSA-N 1 2 311.769 1.264 20 10 DDCDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000291306434 408863323 /nfs/dbraw/zinc/86/33/23/408863323.db2.gz SOZJAUFBRDWCQJ-AWEZNQCLSA-N 1 2 311.353 1.971 20 10 DDCDLO COCC[C@H]1COCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000291306434 408863325 /nfs/dbraw/zinc/86/33/25/408863325.db2.gz SOZJAUFBRDWCQJ-AWEZNQCLSA-N 1 2 311.353 1.971 20 10 DDCDLO O=C(NCc1ccccc1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000279921412 409253623 /nfs/dbraw/zinc/25/36/23/409253623.db2.gz NSBYZIKOLBJNRP-HNNXBMFYSA-N 1 2 304.390 1.652 20 10 DDCDLO O=C(NCc1ccccc1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000279921412 409253625 /nfs/dbraw/zinc/25/36/25/409253625.db2.gz NSBYZIKOLBJNRP-HNNXBMFYSA-N 1 2 304.390 1.652 20 10 DDCDLO C[C@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1=O ZINC000289681842 409284629 /nfs/dbraw/zinc/28/46/29/409284629.db2.gz CMPSVJHQSWBWGF-LBPRGKRZSA-N 1 2 300.152 1.950 20 10 DDCDLO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000290373630 409379844 /nfs/dbraw/zinc/37/98/44/409379844.db2.gz HOWRVTLLSUUJAH-JTQLQIEISA-N 1 2 303.811 1.960 20 10 DDCDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000377199251 418706467 /nfs/dbraw/zinc/70/64/67/418706467.db2.gz TWURITSZLDYKGX-MRVPVSSYSA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000377199251 418706468 /nfs/dbraw/zinc/70/64/68/418706468.db2.gz TWURITSZLDYKGX-MRVPVSSYSA-N 1 2 322.789 1.438 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3nnc(N)cc3C2)c1O ZINC000364188138 418774787 /nfs/dbraw/zinc/77/47/87/418774787.db2.gz CRMZAVRXIBHRFD-UHFFFAOYSA-N 1 2 316.336 1.664 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3nnc(N)cc3C2)c1O ZINC000364188138 418774789 /nfs/dbraw/zinc/77/47/89/418774789.db2.gz CRMZAVRXIBHRFD-UHFFFAOYSA-N 1 2 316.336 1.664 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000364714396 418803343 /nfs/dbraw/zinc/80/33/43/418803343.db2.gz RFIRWACXZAYHRE-LLVKDONJSA-N 1 2 318.333 1.220 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000364714396 418803346 /nfs/dbraw/zinc/80/33/46/418803346.db2.gz RFIRWACXZAYHRE-LLVKDONJSA-N 1 2 318.333 1.220 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180284042 519674250 /nfs/dbraw/zinc/67/42/50/519674250.db2.gz RFCGNGGFXHUGJL-AWEZNQCLSA-N 1 2 312.797 1.691 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180284042 519674252 /nfs/dbraw/zinc/67/42/52/519674252.db2.gz RFCGNGGFXHUGJL-AWEZNQCLSA-N 1 2 312.797 1.691 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000156300722 522200715 /nfs/dbraw/zinc/20/07/15/522200715.db2.gz LUJPRMUOBVBWPL-CYBMUJFWSA-N 1 2 316.380 1.967 20 10 DDCDLO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+]1CCO ZINC000779213473 698401809 /nfs/dbraw/zinc/40/18/09/698401809.db2.gz KBXDUNARNLHAHC-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@H+]1CCO ZINC000779213473 698401810 /nfs/dbraw/zinc/40/18/10/698401810.db2.gz KBXDUNARNLHAHC-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO CCCCN(Cc1ccccc1O)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868110349 701946187 /nfs/dbraw/zinc/94/61/87/701946187.db2.gz ZYDDBADDVZMXPX-OAHLLOKOSA-N 1 2 303.362 1.978 20 10 DDCDLO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000822520879 704966993 /nfs/dbraw/zinc/96/69/93/704966993.db2.gz QRAGOORYKXNBLU-SNVBAGLBSA-N 1 2 300.717 1.422 20 10 DDCDLO COCC[N@H+](CCF)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000827054425 705918481 /nfs/dbraw/zinc/91/84/81/705918481.db2.gz SQXZCAPESXKZPC-UHFFFAOYSA-N 1 2 302.302 1.727 20 10 DDCDLO COCC[N@@H+](CCF)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000827054425 705918484 /nfs/dbraw/zinc/91/84/84/705918484.db2.gz SQXZCAPESXKZPC-UHFFFAOYSA-N 1 2 302.302 1.727 20 10 DDCDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000827488797 706012704 /nfs/dbraw/zinc/01/27/04/706012704.db2.gz LIHUKCHDCHBOBM-INIZCTEOSA-N 1 2 323.345 1.275 20 10 DDCDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000827488797 706012706 /nfs/dbraw/zinc/01/27/06/706012706.db2.gz LIHUKCHDCHBOBM-INIZCTEOSA-N 1 2 323.345 1.275 20 10 DDCDLO CNC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000827867405 706079010 /nfs/dbraw/zinc/07/90/10/706079010.db2.gz HMTUGZNQZISVGY-UHFFFAOYSA-N 1 2 320.393 1.763 20 10 DDCDLO CNC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000827867405 706079012 /nfs/dbraw/zinc/07/90/12/706079012.db2.gz HMTUGZNQZISVGY-UHFFFAOYSA-N 1 2 320.393 1.763 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000872704678 707564449 /nfs/dbraw/zinc/56/44/49/707564449.db2.gz AGNKGVXUTVHFDI-INIZCTEOSA-N 1 2 323.345 1.275 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000872704678 707564453 /nfs/dbraw/zinc/56/44/53/707564453.db2.gz AGNKGVXUTVHFDI-INIZCTEOSA-N 1 2 323.345 1.275 20 10 DDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)C1CC1 ZINC000838896719 707998570 /nfs/dbraw/zinc/99/85/70/707998570.db2.gz YLSJEMOXWAABJZ-CQSZACIVSA-N 1 2 313.781 1.792 20 10 DDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)C1CC1 ZINC000838896719 707998571 /nfs/dbraw/zinc/99/85/71/707998571.db2.gz YLSJEMOXWAABJZ-CQSZACIVSA-N 1 2 313.781 1.792 20 10 DDCDLO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(C)n2)N(C)C)cc1 ZINC000898451299 708644541 /nfs/dbraw/zinc/64/45/41/708644541.db2.gz XBTZZFNAKNWYIE-INIZCTEOSA-N 1 2 302.426 1.274 20 10 DDCDLO C[N@@H+]1CCc2ncnc(NCCc3cc(O)c(O)cc3O)c2C1 ZINC001168009044 740572833 /nfs/dbraw/zinc/57/28/33/740572833.db2.gz HXOQBHIOLHWCJB-UHFFFAOYSA-N 1 2 316.361 1.236 20 10 DDCDLO C[N@H+]1CCc2ncnc(NCCc3cc(O)c(O)cc3O)c2C1 ZINC001168009044 740572835 /nfs/dbraw/zinc/57/28/35/740572835.db2.gz HXOQBHIOLHWCJB-UHFFFAOYSA-N 1 2 316.361 1.236 20 10 DDCDLO CCC(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089795132 747862715 /nfs/dbraw/zinc/86/27/15/747862715.db2.gz TWLINCVSEZPCJB-UHFFFAOYSA-N 1 2 314.393 1.416 20 10 DDCDLO COc1c(O)c(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)ccc1[N+](=O)[O-] ZINC000826889894 759418608 /nfs/dbraw/zinc/41/86/08/759418608.db2.gz ZRGGJAMKTDVFNU-WCBMZHEXSA-N 1 2 319.321 1.696 20 10 DDCDLO CCC[NH+]1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001272462911 846159559 /nfs/dbraw/zinc/15/95/59/846159559.db2.gz URTUONXUUXYAJJ-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO Oc1cccc(F)c1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001137832876 859983200 /nfs/dbraw/zinc/98/32/00/859983200.db2.gz KVNJVXSXSSHUPE-GFCCVEGCSA-N 1 2 309.259 1.657 20 10 DDCDLO Oc1cccc(F)c1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001137832876 859983202 /nfs/dbraw/zinc/98/32/02/859983202.db2.gz KVNJVXSXSSHUPE-GFCCVEGCSA-N 1 2 309.259 1.657 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001139126461 860296188 /nfs/dbraw/zinc/29/61/88/860296188.db2.gz IHAUMEPUEGSVGB-OCCSQVGLSA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001139126461 860296195 /nfs/dbraw/zinc/29/61/95/860296195.db2.gz IHAUMEPUEGSVGB-OCCSQVGLSA-N 1 2 307.321 1.712 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141160551 860799211 /nfs/dbraw/zinc/79/92/11/860799211.db2.gz YVATXWKTMCHCRY-GFCCVEGCSA-N 1 2 303.362 1.577 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ncn(C)c21 ZINC001141160551 860799218 /nfs/dbraw/zinc/79/92/18/860799218.db2.gz YVATXWKTMCHCRY-GFCCVEGCSA-N 1 2 303.362 1.577 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001334382991 867531602 /nfs/dbraw/zinc/53/16/02/867531602.db2.gz DDCUMBGMPFILEN-UHFFFAOYSA-N 1 2 317.393 1.227 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(N)cc1)[NH+]1CCOCC1 ZINC001336800363 869150190 /nfs/dbraw/zinc/15/01/90/869150190.db2.gz PWYRGBXGXIJGRI-QWHCGFSZSA-N 1 2 306.410 1.177 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001343496436 872648165 /nfs/dbraw/zinc/64/81/65/872648165.db2.gz ZYNYEFARLBBROT-CVEARBPZSA-N 1 2 305.422 1.774 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccc(N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001343496436 872648176 /nfs/dbraw/zinc/64/81/76/872648176.db2.gz ZYNYEFARLBBROT-CVEARBPZSA-N 1 2 305.422 1.774 20 10 DDCDLO C[N@@H+]1CCN(Cc2cccc(F)c2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001276537712 873340825 /nfs/dbraw/zinc/34/08/25/873340825.db2.gz LNOXUKBJXPGWSZ-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO C[N@H+]1CCN(Cc2cccc(F)c2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001276537712 873340839 /nfs/dbraw/zinc/34/08/39/873340839.db2.gz LNOXUKBJXPGWSZ-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@H+](Cc2cccc(F)c2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001276537712 873340848 /nfs/dbraw/zinc/34/08/48/873340848.db2.gz LNOXUKBJXPGWSZ-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@@H+](Cc2cccc(F)c2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001276537712 873340858 /nfs/dbraw/zinc/34/08/58/873340858.db2.gz LNOXUKBJXPGWSZ-QGZVFWFLSA-N 1 2 321.396 1.318 20 10 DDCDLO COCC(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233334457 886927820 /nfs/dbraw/zinc/92/78/20/886927820.db2.gz HXUYJBXVAUHHJZ-UHFFFAOYSA-N 1 2 314.332 1.397 20 10 DDCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(F)c(Cl)cc1O ZINC001237940029 889948132 /nfs/dbraw/zinc/94/81/32/889948132.db2.gz AIHMTUHGJLZZEU-UHFFFAOYSA-N 1 2 316.760 1.475 20 10 DDCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(F)c(Cl)cc1O ZINC001237940029 889948146 /nfs/dbraw/zinc/94/81/46/889948146.db2.gz AIHMTUHGJLZZEU-UHFFFAOYSA-N 1 2 316.760 1.475 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000048141120 352527646 /nfs/dbraw/zinc/52/76/46/352527646.db2.gz WRLNKEMSDDPHNC-CQSZACIVSA-N 1 2 320.437 1.273 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC(F)F)OCO2 ZINC000285145959 131142228 /nfs/dbraw/zinc/14/22/28/131142228.db2.gz OICFJEOBAAZXGW-JTQLQIEISA-N 1 2 301.289 1.977 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1CC(F)F)OCO2 ZINC000285145959 131142231 /nfs/dbraw/zinc/14/22/31/131142231.db2.gz OICFJEOBAAZXGW-JTQLQIEISA-N 1 2 301.289 1.977 20 10 DDCDLO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(O)c1O ZINC000179522807 407803289 /nfs/dbraw/zinc/80/32/89/407803289.db2.gz IGDJRWWFAQMIPN-ZDUSSCGKSA-N 1 2 320.389 1.343 20 10 DDCDLO C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]2C1 ZINC000194543865 408786439 /nfs/dbraw/zinc/78/64/39/408786439.db2.gz JFNLIFTYRRDSRX-PHIMTYICSA-N 1 2 311.769 1.947 20 10 DDCDLO C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]2C1 ZINC000194543865 408786441 /nfs/dbraw/zinc/78/64/41/408786441.db2.gz JFNLIFTYRRDSRX-PHIMTYICSA-N 1 2 311.769 1.947 20 10 DDCDLO C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]2C1 ZINC000194543865 408786442 /nfs/dbraw/zinc/78/64/42/408786442.db2.gz JFNLIFTYRRDSRX-PHIMTYICSA-N 1 2 311.769 1.947 20 10 DDCDLO C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]2C1 ZINC000194543865 408786444 /nfs/dbraw/zinc/78/64/44/408786444.db2.gz JFNLIFTYRRDSRX-PHIMTYICSA-N 1 2 311.769 1.947 20 10 DDCDLO COc1ccc2c(c1)CCCCN2C[C@H](O)C[NH+]1CCOCC1 ZINC000374295464 418514670 /nfs/dbraw/zinc/51/46/70/418514670.db2.gz MPWYOZTUZSHRIL-MRXNPFEDSA-N 1 2 320.433 1.531 20 10 DDCDLO COc1ccc(O)c(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1 ZINC000374811555 418565685 /nfs/dbraw/zinc/56/56/85/418565685.db2.gz YJDYSBGYQZJNMI-SNVBAGLBSA-N 1 2 304.350 1.103 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)cc1F ZINC000369693204 418737069 /nfs/dbraw/zinc/73/70/69/418737069.db2.gz QWDHAOGIWBDHFL-ZDUSSCGKSA-N 1 2 306.385 1.443 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)cc1F ZINC000369693204 418737071 /nfs/dbraw/zinc/73/70/71/418737071.db2.gz QWDHAOGIWBDHFL-ZDUSSCGKSA-N 1 2 306.385 1.443 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804445 418725684 /nfs/dbraw/zinc/72/56/84/418725684.db2.gz DWMMCXUJCGVFRC-BONVTDFDSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000368804445 418725687 /nfs/dbraw/zinc/72/56/87/418725687.db2.gz DWMMCXUJCGVFRC-BONVTDFDSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804445 418725688 /nfs/dbraw/zinc/72/56/88/418725688.db2.gz DWMMCXUJCGVFRC-BONVTDFDSA-N 1 2 318.377 1.962 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000368804445 418725690 /nfs/dbraw/zinc/72/56/90/418725690.db2.gz DWMMCXUJCGVFRC-BONVTDFDSA-N 1 2 318.377 1.962 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000365113753 527105397 /nfs/dbraw/zinc/10/53/97/527105397.db2.gz WRRPFIDVVCOAPL-SNVBAGLBSA-N 1 2 322.752 1.865 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000365113753 527105403 /nfs/dbraw/zinc/10/54/03/527105403.db2.gz WRRPFIDVVCOAPL-SNVBAGLBSA-N 1 2 322.752 1.865 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000152439923 696899498 /nfs/dbraw/zinc/89/94/98/696899498.db2.gz VXMMMMAJHFNMIC-UHFFFAOYSA-N 1 2 301.408 1.576 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000152439923 696899492 /nfs/dbraw/zinc/89/94/92/696899492.db2.gz VXMMMMAJHFNMIC-UHFFFAOYSA-N 1 2 301.408 1.576 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000228631265 697775598 /nfs/dbraw/zinc/77/55/98/697775598.db2.gz ZBZIXOJADLUBNX-LBPRGKRZSA-N 1 2 310.781 1.861 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000228631265 697775601 /nfs/dbraw/zinc/77/56/01/697775601.db2.gz ZBZIXOJADLUBNX-LBPRGKRZSA-N 1 2 310.781 1.861 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1O ZINC000780856124 698563561 /nfs/dbraw/zinc/56/35/61/698563561.db2.gz OHHSPFPWUXLWFV-CYBMUJFWSA-N 1 2 320.389 1.343 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000781907550 698660618 /nfs/dbraw/zinc/66/06/18/698660618.db2.gz ICGIVEFXQSRUDO-PHIMTYICSA-N 1 2 316.195 1.391 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000781907550 698660619 /nfs/dbraw/zinc/66/06/19/698660619.db2.gz ICGIVEFXQSRUDO-PHIMTYICSA-N 1 2 316.195 1.391 20 10 DDCDLO Cc1nc(N(C)C)nc(N[C@@H](C)Cc2ccc(O)c(O)c2)[nH+]1 ZINC000782041715 698678135 /nfs/dbraw/zinc/67/81/35/698678135.db2.gz JLMYQQAYNAFEKD-VIFPVBQESA-N 1 2 303.366 1.700 20 10 DDCDLO O=C1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)N1 ZINC000715818696 699277075 /nfs/dbraw/zinc/27/70/75/699277075.db2.gz QDBQTVOULILFBI-VIFPVBQESA-N 1 2 317.158 1.662 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000768190877 701162658 /nfs/dbraw/zinc/16/26/58/701162658.db2.gz CYWQZQRMQBTNHV-AWEZNQCLSA-N 1 2 306.406 1.697 20 10 DDCDLO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)cc(F)c1O ZINC000810242844 701746430 /nfs/dbraw/zinc/74/64/30/701746430.db2.gz BHGYZSPTYWMERF-VIFPVBQESA-N 1 2 312.320 1.495 20 10 DDCDLO COc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(O)c1 ZINC000844140646 702977356 /nfs/dbraw/zinc/97/73/56/702977356.db2.gz SZLSCNGERJGWBH-LBPRGKRZSA-N 1 2 301.346 1.476 20 10 DDCDLO COCc1n[nH]c(C[NH2+]CC=Cc2ccc(N(C)C)cc2)n1 ZINC000850360737 703727382 /nfs/dbraw/zinc/72/73/82/703727382.db2.gz OSBNRKNSHZJGRU-SNAWJCMRSA-N 1 2 301.394 1.820 20 10 DDCDLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1O ZINC000875194024 705311224 /nfs/dbraw/zinc/31/12/24/705311224.db2.gz GPEPPTJJJQBERL-OLZOCXBDSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccccc1O ZINC000875194024 705311226 /nfs/dbraw/zinc/31/12/26/705311226.db2.gz GPEPPTJJJQBERL-OLZOCXBDSA-N 1 2 307.394 1.473 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862475844 705721591 /nfs/dbraw/zinc/72/15/91/705721591.db2.gz ZCMQYCDDKRPZPU-CQSZACIVSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862475844 705721595 /nfs/dbraw/zinc/72/15/95/705721595.db2.gz ZCMQYCDDKRPZPU-CQSZACIVSA-N 1 2 317.744 1.949 20 10 DDCDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826986804 705906820 /nfs/dbraw/zinc/90/68/20/705906820.db2.gz YTKNSLUHDVYXCD-QWRGUYRKSA-N 1 2 323.773 1.086 20 10 DDCDLO COCCOC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877140536 705994975 /nfs/dbraw/zinc/99/49/75/705994975.db2.gz VIVJYDKPLXPZMK-UHFFFAOYSA-N 1 2 320.433 1.495 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC000877550886 706139966 /nfs/dbraw/zinc/13/99/66/706139966.db2.gz SJHOCALTIIQAMC-UHFFFAOYSA-N 1 2 302.378 1.497 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC000877550886 706139967 /nfs/dbraw/zinc/13/99/67/706139967.db2.gz SJHOCALTIIQAMC-UHFFFAOYSA-N 1 2 302.378 1.497 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](CC(N)=O)C2CCOCC2)c1O ZINC000880392271 706961943 /nfs/dbraw/zinc/96/19/43/706961943.db2.gz ALIZEMLSAAJRGX-UHFFFAOYSA-N 1 2 324.352 1.200 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](CC(N)=O)C2CCOCC2)c1O ZINC000880392271 706961946 /nfs/dbraw/zinc/96/19/46/706961946.db2.gz ALIZEMLSAAJRGX-UHFFFAOYSA-N 1 2 324.352 1.200 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835045787 707161894 /nfs/dbraw/zinc/16/18/94/707161894.db2.gz ZDTJXYPPWILUJH-BWPKMQGJSA-N 1 2 314.389 1.002 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835045787 707161898 /nfs/dbraw/zinc/16/18/98/707161898.db2.gz ZDTJXYPPWILUJH-BWPKMQGJSA-N 1 2 314.389 1.002 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000881904693 707417363 /nfs/dbraw/zinc/41/73/63/707417363.db2.gz XQKRCGXHCRPPIN-UHFFFAOYSA-N 1 2 322.434 1.377 20 10 DDCDLO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000897042071 708214202 /nfs/dbraw/zinc/21/42/02/708214202.db2.gz MDAAMYQAIMRDRL-LBPRGKRZSA-N 1 2 324.808 1.509 20 10 DDCDLO COc1ccc(N2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000911277741 710722864 /nfs/dbraw/zinc/72/28/64/710722864.db2.gz WRXVXBNBUSFEDI-CYBMUJFWSA-N 1 2 314.389 1.604 20 10 DDCDLO COc1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(O)c1OC ZINC000893988628 710913043 /nfs/dbraw/zinc/91/30/43/710913043.db2.gz GWGVWIJLNCTZET-GXXBUWOFSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(O)c1OC ZINC000893988628 710913046 /nfs/dbraw/zinc/91/30/46/710913046.db2.gz GWGVWIJLNCTZET-GXXBUWOFSA-N 1 2 313.419 1.751 20 10 DDCDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(F)cc(F)c1O ZINC000894061449 710948012 /nfs/dbraw/zinc/94/80/12/710948012.db2.gz BHWAEYUBRKYWOK-UHFFFAOYSA-N 1 2 307.362 1.925 20 10 DDCDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(F)cc(F)c1O ZINC000894061449 710948019 /nfs/dbraw/zinc/94/80/19/710948019.db2.gz BHWAEYUBRKYWOK-UHFFFAOYSA-N 1 2 307.362 1.925 20 10 DDCDLO CC[C@@H](C(=O)NCc1c(O)cccc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC001178912713 779225725 /nfs/dbraw/zinc/22/57/25/779225725.db2.gz WYUXVOQCSDTFBV-JSGCOSHPSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@@H](C(=O)NCc1c(O)cccc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC001178912713 779225732 /nfs/dbraw/zinc/22/57/32/779225732.db2.gz WYUXVOQCSDTFBV-JSGCOSHPSA-N 1 2 322.405 1.603 20 10 DDCDLO CN(C)C(=O)C[N@@H+]1CCC2(CN(Cc3c(O)cccc3F)C2)C1 ZINC001276354232 855710111 /nfs/dbraw/zinc/71/01/11/855710111.db2.gz NFCLEBAGTIYADD-UHFFFAOYSA-N 1 2 321.396 1.127 20 10 DDCDLO CN(C)C(=O)C[N@H+]1CCC2(CN(Cc3c(O)cccc3F)C2)C1 ZINC001276354232 855710124 /nfs/dbraw/zinc/71/01/24/855710124.db2.gz NFCLEBAGTIYADD-UHFFFAOYSA-N 1 2 321.396 1.127 20 10 DDCDLO CN(C)C(=O)CN1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001276354232 855710133 /nfs/dbraw/zinc/71/01/33/855710133.db2.gz NFCLEBAGTIYADD-UHFFFAOYSA-N 1 2 321.396 1.127 20 10 DDCDLO Oc1cccc(F)c1C[NH+]1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001276354443 855711607 /nfs/dbraw/zinc/71/16/07/855711607.db2.gz VDEFEJARZQFKFH-UHFFFAOYSA-N 1 2 302.353 1.572 20 10 DDCDLO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1cccc(Cl)c1O)C2 ZINC001276380362 857180176 /nfs/dbraw/zinc/18/01/76/857180176.db2.gz QTFJWDSIEILYOF-UHFFFAOYSA-N 1 2 323.824 1.251 20 10 DDCDLO CCOc1cccc(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c1O ZINC001203614084 870672225 /nfs/dbraw/zinc/67/22/25/870672225.db2.gz NVCCMWQPOPBBDQ-AWEZNQCLSA-N 1 2 306.406 1.696 20 10 DDCDLO O=C([C@@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1)N1CC=CC1 ZINC001277446706 884345596 /nfs/dbraw/zinc/34/55/96/884345596.db2.gz SSKFCSYRKHTOGH-INIZCTEOSA-N 1 2 314.385 1.524 20 10 DDCDLO Oc1cccc(N2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)c1 ZINC001233014823 886727253 /nfs/dbraw/zinc/72/72/53/886727253.db2.gz CUPUZESXFZZTPB-UHFFFAOYSA-N 1 2 316.357 1.831 20 10 DDCDLO Oc1c(C[NH+]2CC(N3CCOCC3)C2)cccc1C(F)(F)F ZINC001233418813 886985976 /nfs/dbraw/zinc/98/59/76/886985976.db2.gz XHLUZQDLZUTZFW-UHFFFAOYSA-N 1 2 316.323 1.927 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255523554 896986639 /nfs/dbraw/zinc/98/66/39/896986639.db2.gz CYVUXZSZAHSPTC-STQMWFEESA-N 1 2 323.389 1.729 20 10 DDCDLO C[C@@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000051687456 352591701 /nfs/dbraw/zinc/59/17/01/352591701.db2.gz OBASOTIVVADOBJ-CQSZACIVSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000051687456 352591704 /nfs/dbraw/zinc/59/17/04/352591704.db2.gz OBASOTIVVADOBJ-CQSZACIVSA-N 1 2 305.422 1.432 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(C[C@H](C)O)C[C@@H]2C)cc1OC ZINC000284462620 131082261 /nfs/dbraw/zinc/08/22/61/131082261.db2.gz VEGSUHJCIMNFJM-STQMWFEESA-N 1 2 324.421 1.296 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)cc1OC ZINC000284462620 131082262 /nfs/dbraw/zinc/08/22/62/131082262.db2.gz VEGSUHJCIMNFJM-STQMWFEESA-N 1 2 324.421 1.296 20 10 DDCDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297896218 132039285 /nfs/dbraw/zinc/03/92/85/132039285.db2.gz OLNIHXJHBDAFGZ-KGLIPLIRSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297896218 132039286 /nfs/dbraw/zinc/03/92/86/132039286.db2.gz OLNIHXJHBDAFGZ-KGLIPLIRSA-N 1 2 305.422 1.478 20 10 DDCDLO CC(C)(C(N)=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271815345 407731281 /nfs/dbraw/zinc/73/12/81/407731281.db2.gz MNTNYVKBGLDXFG-UHFFFAOYSA-N 1 2 311.813 1.427 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000180529247 407897704 /nfs/dbraw/zinc/89/77/04/407897704.db2.gz MHDXVCPYQHZCEW-UHFFFAOYSA-N 1 2 305.765 1.698 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000180529247 407897711 /nfs/dbraw/zinc/89/77/11/407897711.db2.gz MHDXVCPYQHZCEW-UHFFFAOYSA-N 1 2 305.765 1.698 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c1O ZINC000276293234 408831131 /nfs/dbraw/zinc/83/11/31/408831131.db2.gz UAELMJAMTAVYSX-TZMCWYRMSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c1O ZINC000276293234 408831134 /nfs/dbraw/zinc/83/11/34/408831134.db2.gz UAELMJAMTAVYSX-TZMCWYRMSA-N 1 2 309.362 1.289 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000366903188 418535204 /nfs/dbraw/zinc/53/52/04/418535204.db2.gz GATIDYJELLGKCT-VIFPVBQESA-N 1 2 310.781 1.959 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000366903188 418535205 /nfs/dbraw/zinc/53/52/05/418535205.db2.gz GATIDYJELLGKCT-VIFPVBQESA-N 1 2 310.781 1.959 20 10 DDCDLO COc1ccc(N2CCC[N@H+](Cc3ncnn3C)CC2)cc1 ZINC000361359131 418634387 /nfs/dbraw/zinc/63/43/87/418634387.db2.gz USGMQGAPWKKMNN-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO COc1ccc(N2CCC[N@@H+](Cc3ncnn3C)CC2)cc1 ZINC000361359131 418634389 /nfs/dbraw/zinc/63/43/89/418634389.db2.gz USGMQGAPWKKMNN-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO CN1CCCc2cc(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)ccc21 ZINC000368492439 418720584 /nfs/dbraw/zinc/72/05/84/418720584.db2.gz BTMJUEYIDOMOEM-ZDUSSCGKSA-N 1 2 309.360 1.682 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)c1 ZINC000370365087 418743157 /nfs/dbraw/zinc/74/31/57/418743157.db2.gz DBEJLZOLHJCBOJ-ZFWWWQNUSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)c1 ZINC000370365087 418743159 /nfs/dbraw/zinc/74/31/59/418743159.db2.gz DBEJLZOLHJCBOJ-ZFWWWQNUSA-N 1 2 323.389 1.943 20 10 DDCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368626894 418723232 /nfs/dbraw/zinc/72/32/32/418723232.db2.gz VFVCUJWFNUTVSL-CQSZACIVSA-N 1 2 309.360 1.900 20 10 DDCDLO COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000492815145 277357857 /nfs/dbraw/zinc/35/78/57/277357857.db2.gz WKIOSIMQZNKULD-UZYOAWRESA-N 1 2 313.313 1.390 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)c1O ZINC000157272960 518285460 /nfs/dbraw/zinc/28/54/60/518285460.db2.gz QCQROXBQCRGOEB-HZMBPMFUSA-N 1 2 311.353 1.706 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)c1O ZINC000157272960 518285465 /nfs/dbraw/zinc/28/54/65/518285465.db2.gz QCQROXBQCRGOEB-HZMBPMFUSA-N 1 2 311.353 1.706 20 10 DDCDLO COCCN1CC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000181574025 523856773 /nfs/dbraw/zinc/85/67/73/523856773.db2.gz LMBHNLZVFDAITM-UHFFFAOYSA-N 1 2 312.797 1.645 20 10 DDCDLO COCCN1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000181574025 523856779 /nfs/dbraw/zinc/85/67/79/523856779.db2.gz LMBHNLZVFDAITM-UHFFFAOYSA-N 1 2 312.797 1.645 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364230338 526772610 /nfs/dbraw/zinc/77/26/10/526772610.db2.gz ZXBAKLZSHZECMA-GFCCVEGCSA-N 1 2 300.314 1.786 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090378 697962179 /nfs/dbraw/zinc/96/21/79/697962179.db2.gz SXXNNUDFAWILRK-BXKDBHETSA-N 1 2 323.349 1.395 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090378 697962182 /nfs/dbraw/zinc/96/21/82/697962182.db2.gz SXXNNUDFAWILRK-BXKDBHETSA-N 1 2 323.349 1.395 20 10 DDCDLO COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776177890 698076511 /nfs/dbraw/zinc/07/65/11/698076511.db2.gz VMDQVDYAQJMWNU-GFCCVEGCSA-N 1 2 302.777 1.995 20 10 DDCDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000290729720 698571918 /nfs/dbraw/zinc/57/19/18/698571918.db2.gz MXTAYMHFYYZPKI-UHFFFAOYSA-N 1 2 311.389 1.796 20 10 DDCDLO Fc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1N1CCOCC1 ZINC000802657496 700416057 /nfs/dbraw/zinc/41/60/57/700416057.db2.gz GLNHXVPRMXJQEJ-GASCZTMLSA-N 1 2 322.380 1.262 20 10 DDCDLO Fc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1N1CCOCC1 ZINC000802657496 700416059 /nfs/dbraw/zinc/41/60/59/700416059.db2.gz GLNHXVPRMXJQEJ-GASCZTMLSA-N 1 2 322.380 1.262 20 10 DDCDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1O ZINC000868284748 702042535 /nfs/dbraw/zinc/04/25/35/702042535.db2.gz BQTFELFKGZQCQP-IHRRRGAJSA-N 1 2 321.421 1.862 20 10 DDCDLO CC(C)COc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819416083 704122678 /nfs/dbraw/zinc/12/26/78/704122678.db2.gz LTICPQLSNBHHIR-OAHLLOKOSA-N 1 2 308.422 1.826 20 10 DDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834879651 707145623 /nfs/dbraw/zinc/14/56/23/707145623.db2.gz ULVMXYSQDOOZEN-WPRPVWTQSA-N 1 2 322.377 1.649 20 10 DDCDLO CCOCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876564842 705760354 /nfs/dbraw/zinc/76/03/54/705760354.db2.gz PFUUGJSPFXJECB-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO C[C@]1([NH2+]Cc2cc(Br)cc(F)c2O)CCNC1=O ZINC000897866920 708475065 /nfs/dbraw/zinc/47/50/65/708475065.db2.gz JVJBHKRRLYDKGC-LBPRGKRZSA-N 1 2 317.158 1.662 20 10 DDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000900254851 709507270 /nfs/dbraw/zinc/50/72/70/709507270.db2.gz PNXFGVIDLXEYHN-UHFFFAOYSA-N 1 2 316.430 1.822 20 10 DDCDLO C/C(=C/C(=O)N(C)Cc1ccccc1O)C[NH+]1CCOCC1 ZINC000901054171 709902937 /nfs/dbraw/zinc/90/29/37/709902937.db2.gz BXOQEIDJPMJOGM-KAMYIIQDSA-N 1 2 304.390 1.629 20 10 DDCDLO CCOc1ccc([N@H+](CC)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000929913877 713717650 /nfs/dbraw/zinc/71/76/50/713717650.db2.gz SXHKOTBWGWIDBE-UHFFFAOYSA-N 1 2 312.435 1.803 20 10 DDCDLO CCOc1ccc([N@@H+](CC)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000929913877 713717651 /nfs/dbraw/zinc/71/76/51/713717651.db2.gz SXHKOTBWGWIDBE-UHFFFAOYSA-N 1 2 312.435 1.803 20 10 DDCDLO COc1cc(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)cc(OC)n1 ZINC001030614635 744328206 /nfs/dbraw/zinc/32/82/06/744328206.db2.gz NFJMYHOMUWTFBO-SNVBAGLBSA-N 1 2 311.357 1.261 20 10 DDCDLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464760 746851950 /nfs/dbraw/zinc/85/19/50/746851950.db2.gz ZXDXLKKFVHXPSY-SNVBAGLBSA-N 1 2 319.365 1.298 20 10 DDCDLO CC(=O)NCCC1=CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001089802778 747881364 /nfs/dbraw/zinc/88/13/64/747881364.db2.gz WSZGJENTJQGVFJ-UHFFFAOYSA-N 1 2 315.421 1.127 20 10 DDCDLO CC(=O)NCCC1=CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001089802778 747881377 /nfs/dbraw/zinc/88/13/77/747881377.db2.gz WSZGJENTJQGVFJ-UHFFFAOYSA-N 1 2 315.421 1.127 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139124586 860295506 /nfs/dbraw/zinc/29/55/06/860295506.db2.gz CMOSYFPKTLHZJJ-LLVKDONJSA-N 1 2 317.341 1.802 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139124586 860295516 /nfs/dbraw/zinc/29/55/16/860295516.db2.gz CMOSYFPKTLHZJJ-LLVKDONJSA-N 1 2 317.341 1.802 20 10 DDCDLO CS(=O)(=O)c1c[n-]c2nc[nH+]c(NCc3ccc([NH3+])cc3)c12 ZINC001162784452 867820973 /nfs/dbraw/zinc/82/09/73/867820973.db2.gz NRCLPLRIWYEKLG-UHFFFAOYSA-N 1 2 317.374 1.507 20 10 DDCDLO Nc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001353274584 877223963 /nfs/dbraw/zinc/22/39/63/877223963.db2.gz UZDQHWLDFOTDMZ-UHFFFAOYSA-N 1 2 313.405 1.844 20 10 DDCDLO COCCN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277490014 885274798 /nfs/dbraw/zinc/27/47/98/885274798.db2.gz ZLXIBBWTHJQEPJ-PXAZEXFGSA-N 1 2 322.380 1.601 20 10 DDCDLO COCCN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277490014 885274814 /nfs/dbraw/zinc/27/48/14/885274814.db2.gz ZLXIBBWTHJQEPJ-PXAZEXFGSA-N 1 2 322.380 1.601 20 10 DDCDLO CCN1CCc2cc(O[C@@H]3C[C@@H](C(=O)OC)[N@H+](C)C3)ccc21 ZINC001233601833 887144501 /nfs/dbraw/zinc/14/45/01/887144501.db2.gz NGKZHPMYQAEWDM-ZBFHGGJFSA-N 1 2 304.390 1.694 20 10 DDCDLO CCN1CCc2cc(O[C@@H]3C[C@@H](C(=O)OC)[N@@H+](C)C3)ccc21 ZINC001233601833 887144511 /nfs/dbraw/zinc/14/45/11/887144511.db2.gz NGKZHPMYQAEWDM-ZBFHGGJFSA-N 1 2 304.390 1.694 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccc(CC(=O)OC)cc1O)C1CC1 ZINC001249216975 893870376 /nfs/dbraw/zinc/87/03/76/893870376.db2.gz JACIWYOAIQDPSW-UHFFFAOYSA-N 1 2 321.373 1.635 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccc(CC(=O)OC)cc1O)C1CC1 ZINC001249216975 893870385 /nfs/dbraw/zinc/87/03/85/893870385.db2.gz JACIWYOAIQDPSW-UHFFFAOYSA-N 1 2 321.373 1.635 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](CCCF)CC1 ZINC001262138184 899973645 /nfs/dbraw/zinc/97/36/45/899973645.db2.gz PIWBJIQNZKZODI-UHFFFAOYSA-N 1 2 300.305 1.354 20 10 DDCDLO CCn1cnnc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273382134 130113767 /nfs/dbraw/zinc/11/37/67/130113767.db2.gz IMPGRDAMAKUKQC-SNVBAGLBSA-N 1 2 304.350 1.641 20 10 DDCDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909689 130272716 /nfs/dbraw/zinc/27/27/16/130272716.db2.gz JRSXVUOVYYBZJS-ZYHUDNBSSA-N 1 2 307.346 1.894 20 10 DDCDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909689 130272718 /nfs/dbraw/zinc/27/27/18/130272718.db2.gz JRSXVUOVYYBZJS-ZYHUDNBSSA-N 1 2 307.346 1.894 20 10 DDCDLO CN(C)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000285810036 131203340 /nfs/dbraw/zinc/20/33/40/131203340.db2.gz FGTDXUQQCYDADB-AWEZNQCLSA-N 1 2 313.361 1.139 20 10 DDCDLO CN(C)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000285810036 131203341 /nfs/dbraw/zinc/20/33/41/131203341.db2.gz FGTDXUQQCYDADB-AWEZNQCLSA-N 1 2 313.361 1.139 20 10 DDCDLO COc1cc(O)c(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000270846175 408706457 /nfs/dbraw/zinc/70/64/57/408706457.db2.gz LFTBQIJTBWUPQA-NSHDSACASA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000270846175 408706463 /nfs/dbraw/zinc/70/64/63/408706463.db2.gz LFTBQIJTBWUPQA-NSHDSACASA-N 1 2 315.391 1.028 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000185205420 408779177 /nfs/dbraw/zinc/77/91/77/408779177.db2.gz AUBMJWAYYBVBST-MRXNPFEDSA-N 1 2 309.337 1.725 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000185205420 408779180 /nfs/dbraw/zinc/77/91/80/408779180.db2.gz AUBMJWAYYBVBST-MRXNPFEDSA-N 1 2 309.337 1.725 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276558064 408882483 /nfs/dbraw/zinc/88/24/83/408882483.db2.gz GCEWILPMADSUFM-NXEZZACHSA-N 1 2 304.350 1.719 20 10 DDCDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(F)ccc(O)c1O ZINC000276668420 408894911 /nfs/dbraw/zinc/89/49/11/408894911.db2.gz YZZNTMDQLDICPY-JTQLQIEISA-N 1 2 317.320 1.641 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000283080025 409083029 /nfs/dbraw/zinc/08/30/29/409083029.db2.gz RDWVVEKDXFAYEO-IAQYHMDHSA-N 1 2 310.369 1.654 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000283080025 409083032 /nfs/dbraw/zinc/08/30/32/409083032.db2.gz RDWVVEKDXFAYEO-IAQYHMDHSA-N 1 2 310.369 1.654 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295233646 409388899 /nfs/dbraw/zinc/38/88/99/409388899.db2.gz DDWMAXAAWIPYLA-SECBINFHSA-N 1 2 322.789 1.308 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295233646 409388903 /nfs/dbraw/zinc/38/89/03/409388903.db2.gz DDWMAXAAWIPYLA-SECBINFHSA-N 1 2 322.789 1.308 20 10 DDCDLO O=C(NCc1ccc(O)c(O)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000377091210 418705332 /nfs/dbraw/zinc/70/53/32/418705332.db2.gz CSFWPTPUYNMYPI-CQSZACIVSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C(NCc1ccc(O)c(O)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000377091210 418705333 /nfs/dbraw/zinc/70/53/33/418705333.db2.gz CSFWPTPUYNMYPI-CQSZACIVSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C1NCCCC[C@H]1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000376163989 418693075 /nfs/dbraw/zinc/69/30/75/418693075.db2.gz DNFBUYNAFOEIBQ-OAHLLOKOSA-N 1 2 321.396 1.318 20 10 DDCDLO O=C1NCCCC[C@H]1[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000376163989 418693077 /nfs/dbraw/zinc/69/30/77/418693077.db2.gz DNFBUYNAFOEIBQ-OAHLLOKOSA-N 1 2 321.396 1.318 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000368827061 418725340 /nfs/dbraw/zinc/72/53/40/418725340.db2.gz URHOWSNIQSMSMU-CQSZACIVSA-N 1 2 308.353 1.250 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000368827061 418725345 /nfs/dbraw/zinc/72/53/45/418725345.db2.gz URHOWSNIQSMSMU-CQSZACIVSA-N 1 2 308.353 1.250 20 10 DDCDLO COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000492815143 420673934 /nfs/dbraw/zinc/67/39/34/420673934.db2.gz WKIOSIMQZNKULD-LMVHVUTASA-N 1 2 313.313 1.390 20 10 DDCDLO Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(O)c1O ZINC000182896338 526214252 /nfs/dbraw/zinc/21/42/52/526214252.db2.gz JBBLYBZZQJDWBR-LBPRGKRZSA-N 1 2 313.357 1.810 20 10 DDCDLO C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055986 699248368 /nfs/dbraw/zinc/24/83/68/699248368.db2.gz HYBYURCRYUSBPC-LHLIQPBNSA-N 1 2 324.602 1.639 20 10 DDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1ccsc1=O ZINC000746604343 700032920 /nfs/dbraw/zinc/03/29/20/700032920.db2.gz GTBVXOCGZXGHRT-UHFFFAOYSA-N 1 2 319.430 1.836 20 10 DDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1ccsc1=O ZINC000746604343 700032923 /nfs/dbraw/zinc/03/29/23/700032923.db2.gz GTBVXOCGZXGHRT-UHFFFAOYSA-N 1 2 319.430 1.836 20 10 DDCDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000052636395 696259388 /nfs/dbraw/zinc/25/93/88/696259388.db2.gz HLXJCWNBVGMPKU-CQSZACIVSA-N 1 2 305.422 1.732 20 10 DDCDLO CN1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCC1=O ZINC000084061289 696555419 /nfs/dbraw/zinc/55/54/19/696555419.db2.gz KECQSRGGWUUABF-JTQLQIEISA-N 1 2 313.195 1.865 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000782297273 698705704 /nfs/dbraw/zinc/70/57/04/698705704.db2.gz YNYYYCWIIZYNFU-FHMRSRPSSA-N 1 2 307.346 1.375 20 10 DDCDLO CO[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CCS(=O)(=O)C1 ZINC000721268026 699312183 /nfs/dbraw/zinc/31/21/83/699312183.db2.gz QQRJJLPOUCCJAP-CYBMUJFWSA-N 1 2 319.810 1.339 20 10 DDCDLO O=C1N=C(N2CCOCC2)S/C1=C/c1cccc2[nH+]ccn21 ZINC000769607474 701250254 /nfs/dbraw/zinc/25/02/54/701250254.db2.gz LIXLFAQAXATBAV-ZRDIBKRKSA-N 1 2 314.370 1.637 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H](C)[NH+]1CCOCC1 ZINC000868284746 702042594 /nfs/dbraw/zinc/04/25/94/702042594.db2.gz BQTFELFKGZQCQP-HZSPNIEDSA-N 1 2 321.421 1.862 20 10 DDCDLO O=S1(=O)CC(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816588625 702121019 /nfs/dbraw/zinc/12/10/19/702121019.db2.gz TZCFPXTXRZIESD-UHFFFAOYSA-N 1 2 307.774 1.709 20 10 DDCDLO COc1cccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccn2)c1O ZINC000846168542 703245598 /nfs/dbraw/zinc/24/55/98/703245598.db2.gz AJMLTMGJUNKOIG-IINYFYTJSA-N 1 2 301.346 1.673 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC000877570175 706145581 /nfs/dbraw/zinc/14/55/81/706145581.db2.gz IQHZZBPNUYTJSQ-UHFFFAOYSA-N 1 2 301.346 1.769 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC000877570175 706145582 /nfs/dbraw/zinc/14/55/82/706145582.db2.gz IQHZZBPNUYTJSQ-UHFFFAOYSA-N 1 2 301.346 1.769 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCSC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000877780311 706208352 /nfs/dbraw/zinc/20/83/52/706208352.db2.gz MKVLDHVKIJYHDO-SNVBAGLBSA-N 1 2 314.363 1.219 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000877793250 706217244 /nfs/dbraw/zinc/21/72/44/706217244.db2.gz NGFBLKGQXSSELZ-WDEREUQCSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000877793250 706217245 /nfs/dbraw/zinc/21/72/45/706217245.db2.gz NGFBLKGQXSSELZ-WDEREUQCSA-N 1 2 315.822 1.912 20 10 DDCDLO COc1ccc(N2CC[C@H](CNc3nc(C)[nH+]c(N)n3)C2)cc1 ZINC000865888423 706553468 /nfs/dbraw/zinc/55/34/68/706553468.db2.gz NTMRGGLMKOSCTI-GFCCVEGCSA-N 1 2 314.393 1.709 20 10 DDCDLO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)cc(F)c1O ZINC000834902302 707146841 /nfs/dbraw/zinc/14/68/41/707146841.db2.gz DGJXVDMLLMYEJZ-JTQLQIEISA-N 1 2 300.349 1.778 20 10 DDCDLO Oc1cccc(F)c1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000896640028 708105143 /nfs/dbraw/zinc/10/51/43/708105143.db2.gz FYVGNKOTNFANOS-GFCCVEGCSA-N 1 2 306.341 1.592 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1CS(N)(=O)=O ZINC000897608395 708391936 /nfs/dbraw/zinc/39/19/36/708391936.db2.gz ZUABBUYKPNTYSB-SCZZXKLOSA-N 1 2 320.361 1.027 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1CS(N)(=O)=O ZINC000897608395 708391940 /nfs/dbraw/zinc/39/19/40/708391940.db2.gz ZUABBUYKPNTYSB-SCZZXKLOSA-N 1 2 320.361 1.027 20 10 DDCDLO Cc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c(O)c1O ZINC000927770011 713052107 /nfs/dbraw/zinc/05/21/07/713052107.db2.gz XZCSOUHDRITYGC-UHFFFAOYSA-N 1 2 321.402 1.854 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530508 711166854 /nfs/dbraw/zinc/16/68/54/711166854.db2.gz JBBVNJNCHQVRNC-TZMCWYRMSA-N 1 2 309.362 1.208 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530508 711166859 /nfs/dbraw/zinc/16/68/59/711166859.db2.gz JBBVNJNCHQVRNC-TZMCWYRMSA-N 1 2 309.362 1.208 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000912293496 711264195 /nfs/dbraw/zinc/26/41/95/711264195.db2.gz YJSSMAHQCHKLMR-LBPRGKRZSA-N 1 2 300.362 1.356 20 10 DDCDLO Cc1nnc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)[nH]1 ZINC000895265213 711470942 /nfs/dbraw/zinc/47/09/42/711470942.db2.gz KYWDAKXLCSBBPB-UHFFFAOYSA-N 1 2 321.812 1.790 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895701681 711581736 /nfs/dbraw/zinc/58/17/36/711581736.db2.gz BXLQVPISRMTYJO-OAHLLOKOSA-N 1 2 314.332 1.141 20 10 DDCDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895701681 711581738 /nfs/dbraw/zinc/58/17/38/711581738.db2.gz BXLQVPISRMTYJO-OAHLLOKOSA-N 1 2 314.332 1.141 20 10 DDCDLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994280 760677515 /nfs/dbraw/zinc/67/75/15/760677515.db2.gz HYZQHSNNIWIKRV-CYBMUJFWSA-N 1 2 321.356 1.965 20 10 DDCDLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994280 760677519 /nfs/dbraw/zinc/67/75/19/760677519.db2.gz HYZQHSNNIWIKRV-CYBMUJFWSA-N 1 2 321.356 1.965 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)C[C@H]1O ZINC001144298988 772471884 /nfs/dbraw/zinc/47/18/84/772471884.db2.gz NZBOKCMXUGMAID-PRHODGIISA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)C[C@H]1O ZINC001144298988 772471886 /nfs/dbraw/zinc/47/18/86/772471886.db2.gz NZBOKCMXUGMAID-PRHODGIISA-N 1 2 320.158 1.079 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(C(=O)N(C)C)C1 ZINC001139127037 860296146 /nfs/dbraw/zinc/29/61/46/860296146.db2.gz CDMKKYZVCVWOOU-UHFFFAOYSA-N 1 2 316.357 1.327 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC2(CC(O)C2)C1 ZINC001139126522 860297020 /nfs/dbraw/zinc/29/70/20/860297020.db2.gz INQJXGOAWJRDCS-UHFFFAOYSA-N 1 2 301.342 1.764 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001139126462 860297044 /nfs/dbraw/zinc/29/70/44/860297044.db2.gz IHAUMEPUEGSVGB-TZMCWYRMSA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001139126462 860297052 /nfs/dbraw/zinc/29/70/52/860297052.db2.gz IHAUMEPUEGSVGB-TZMCWYRMSA-N 1 2 307.321 1.712 20 10 DDCDLO Cc1c(O)ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c1O ZINC001140748793 860691182 /nfs/dbraw/zinc/69/11/82/860691182.db2.gz KAGDQMFVEBUYTN-UHFFFAOYSA-N 1 2 320.389 1.229 20 10 DDCDLO Cc1c(O)ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c1O ZINC001140748793 860691186 /nfs/dbraw/zinc/69/11/86/860691186.db2.gz KAGDQMFVEBUYTN-UHFFFAOYSA-N 1 2 320.389 1.229 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CCN([C@@H]4CCOC4)CC3)ccc21 ZINC001141140787 860793913 /nfs/dbraw/zinc/79/39/13/860793913.db2.gz PLIUROCRHOZKPS-MRXNPFEDSA-N 1 2 317.433 1.422 20 10 DDCDLO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC001336800364 869150401 /nfs/dbraw/zinc/15/04/01/869150401.db2.gz PWYRGBXGXIJGRI-STQMWFEESA-N 1 2 306.410 1.177 20 10 DDCDLO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CN(C)CC[N@@H+]1C ZINC001351788638 876432790 /nfs/dbraw/zinc/43/27/90/876432790.db2.gz YMRDPQMNDYZKPP-DZGCQCFKSA-N 1 2 320.437 1.168 20 10 DDCDLO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CN(C)CC[N@H+]1C ZINC001351788638 876432796 /nfs/dbraw/zinc/43/27/96/876432796.db2.gz YMRDPQMNDYZKPP-DZGCQCFKSA-N 1 2 320.437 1.168 20 10 DDCDLO COC(=O)c1sc(C(=O)OC)c(O[C@H]2CCC[NH2+]C2)c1O ZINC001218284472 877445051 /nfs/dbraw/zinc/44/50/51/877445051.db2.gz ZNZURQXBMNIHOL-ZETCQYMHSA-N 1 2 315.347 1.158 20 10 DDCDLO O=C(N1CCCCO1)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276914963 881079317 /nfs/dbraw/zinc/07/93/17/881079317.db2.gz XHODQULLVIXVJB-DYVFJYSZSA-N 1 2 318.373 1.616 20 10 DDCDLO O=C(N1CCCCO1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276914963 881079334 /nfs/dbraw/zinc/07/93/34/881079334.db2.gz XHODQULLVIXVJB-DYVFJYSZSA-N 1 2 318.373 1.616 20 10 DDCDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)O1 ZINC001231910428 885942122 /nfs/dbraw/zinc/94/21/22/885942122.db2.gz PJEWOTPZBDCPOQ-MCIONIFRSA-N 1 2 324.808 1.866 20 10 DDCDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015926 886731033 /nfs/dbraw/zinc/73/10/33/886731033.db2.gz JLRGUGAEJCMHMZ-GFCCVEGCSA-N 1 2 308.378 1.540 20 10 DDCDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015926 886731050 /nfs/dbraw/zinc/73/10/50/886731050.db2.gz JLRGUGAEJCMHMZ-GFCCVEGCSA-N 1 2 308.378 1.540 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001236673993 889296476 /nfs/dbraw/zinc/29/64/76/889296476.db2.gz RPCTWGIUEGKIOW-NSHDSACASA-N 1 2 313.195 1.913 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001236673993 889296487 /nfs/dbraw/zinc/29/64/87/889296487.db2.gz RPCTWGIUEGKIOW-NSHDSACASA-N 1 2 313.195 1.913 20 10 DDCDLO CCCN(Cc1ccccc1O)C(=O)NCC[NH+]1CCOCC1 ZINC000066686961 353012291 /nfs/dbraw/zinc/01/22/91/353012291.db2.gz WHNWGHUOUPMLNK-UHFFFAOYSA-N 1 2 321.421 1.646 20 10 DDCDLO CC(C)(C(N)=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271192661 407567290 /nfs/dbraw/zinc/56/72/90/407567290.db2.gz RAJUXUWVXYQROA-UHFFFAOYSA-N 1 2 311.813 1.427 20 10 DDCDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000271192661 407567298 /nfs/dbraw/zinc/56/72/98/407567298.db2.gz RAJUXUWVXYQROA-UHFFFAOYSA-N 1 2 311.813 1.427 20 10 DDCDLO COCCN(C)c1ccc(/C=C2/SC(=S)N(C)C2=O)c[nH+]1 ZINC000276701968 408894555 /nfs/dbraw/zinc/89/45/55/408894555.db2.gz PCBGGESBGYJJKP-DHZHZOJOSA-N 1 2 323.443 1.995 20 10 DDCDLO CCOc1cccc(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)c1O ZINC000378342341 418721225 /nfs/dbraw/zinc/72/12/25/418721225.db2.gz OKFNWYOLGWDXGV-OLZOCXBDSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1cccc(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)c1O ZINC000378342341 418721228 /nfs/dbraw/zinc/72/12/28/418721228.db2.gz OKFNWYOLGWDXGV-OLZOCXBDSA-N 1 2 309.362 1.553 20 10 DDCDLO CCN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000747682163 700081513 /nfs/dbraw/zinc/08/15/13/700081513.db2.gz RPQUQGMBKRMDNN-OAHLLOKOSA-N 1 2 324.421 1.223 20 10 DDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000228356202 697774158 /nfs/dbraw/zinc/77/41/58/697774158.db2.gz YHLJKMROYMYFQK-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)cc1 ZINC000773735222 697798591 /nfs/dbraw/zinc/79/85/91/697798591.db2.gz ZLDBDNAQOKIWNI-UHFFFAOYSA-N 1 2 311.451 1.220 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775697297 698023467 /nfs/dbraw/zinc/02/34/67/698023467.db2.gz YOEVJOORWBPEPC-JTQLQIEISA-N 1 2 304.799 1.299 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775697297 698023471 /nfs/dbraw/zinc/02/34/71/698023471.db2.gz YOEVJOORWBPEPC-JTQLQIEISA-N 1 2 304.799 1.299 20 10 DDCDLO COCC[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743766 699276881 /nfs/dbraw/zinc/27/68/81/699276881.db2.gz BIEIVHLJPUZCAN-SNVBAGLBSA-N 1 2 322.174 1.781 20 10 DDCDLO COc1ccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(O)c1 ZINC000792835109 699718195 /nfs/dbraw/zinc/71/81/95/699718195.db2.gz KRMASZXBTWBZJK-NSHDSACASA-N 1 2 304.350 1.485 20 10 DDCDLO O=C(C1=CC(=O)CS1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000802639373 700414968 /nfs/dbraw/zinc/41/49/68/700414968.db2.gz MQFGWUKPOJTHAT-GFCCVEGCSA-N 1 2 310.419 1.638 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000769468304 701246328 /nfs/dbraw/zinc/24/63/28/701246328.db2.gz XTFHTLKXYJVEJU-OAHLLOKOSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000769468304 701246330 /nfs/dbraw/zinc/24/63/30/701246330.db2.gz XTFHTLKXYJVEJU-OAHLLOKOSA-N 1 2 309.362 1.555 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000868284763 702042986 /nfs/dbraw/zinc/04/29/86/702042986.db2.gz BQTFELFKGZQCQP-RDBSUJKOSA-N 1 2 321.421 1.862 20 10 DDCDLO CC1(C)C[N@H+](CCNC(=O)NCCc2ccc(N)cc2)CCO1 ZINC000841773957 702561602 /nfs/dbraw/zinc/56/16/02/702561602.db2.gz VJUJESNMTBSUOJ-UHFFFAOYSA-N 1 2 320.437 1.221 20 10 DDCDLO CC1(C)C[N@@H+](CCNC(=O)NCCc2ccc(N)cc2)CCO1 ZINC000841773957 702561606 /nfs/dbraw/zinc/56/16/06/702561606.db2.gz VJUJESNMTBSUOJ-UHFFFAOYSA-N 1 2 320.437 1.221 20 10 DDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841787040 702566362 /nfs/dbraw/zinc/56/63/62/702566362.db2.gz LUTQEGKWOVBPGG-UHFFFAOYSA-N 1 2 320.437 1.221 20 10 DDCDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841787040 702566368 /nfs/dbraw/zinc/56/63/68/702566368.db2.gz LUTQEGKWOVBPGG-UHFFFAOYSA-N 1 2 320.437 1.221 20 10 DDCDLO COCCOCC[NH+]1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000846118159 703239615 /nfs/dbraw/zinc/23/96/15/703239615.db2.gz UTFVCOVMFHDHMG-UHFFFAOYSA-N 1 2 324.421 1.181 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000858235589 704682971 /nfs/dbraw/zinc/68/29/71/704682971.db2.gz NCKGLALKKQSHPW-KBPBESRZSA-N 1 2 321.421 1.609 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@@H+](CCO)C[C@H]2C)c1O ZINC000832783147 706983403 /nfs/dbraw/zinc/98/34/03/706983403.db2.gz NZGNEWMLDBILBW-LLVKDONJSA-N 1 2 310.369 1.232 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@H+](CCO)C[C@H]2C)c1O ZINC000832783147 706983406 /nfs/dbraw/zinc/98/34/06/706983406.db2.gz NZGNEWMLDBILBW-LLVKDONJSA-N 1 2 310.369 1.232 20 10 DDCDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825935238 705748772 /nfs/dbraw/zinc/74/87/72/705748772.db2.gz PTXWGXCUHPDAOF-VIFPVBQESA-N 1 2 313.195 1.865 20 10 DDCDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825935238 705748775 /nfs/dbraw/zinc/74/87/75/705748775.db2.gz PTXWGXCUHPDAOF-VIFPVBQESA-N 1 2 313.195 1.865 20 10 DDCDLO Cc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)c(O)c1 ZINC000877121980 705990333 /nfs/dbraw/zinc/99/03/33/705990333.db2.gz DJZDNURJSVMGHX-UHFFFAOYSA-N 1 2 316.405 1.841 20 10 DDCDLO CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cccc(Cl)c1O ZINC000927024457 712931794 /nfs/dbraw/zinc/93/17/94/712931794.db2.gz KVYSNVIFZIDJHG-BXKDBHETSA-N 1 2 321.826 1.492 20 10 DDCDLO COCC[N@H+](C)Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881378314 707224035 /nfs/dbraw/zinc/22/40/35/707224035.db2.gz MRKDSJTXXFJLBY-UHFFFAOYSA-N 1 2 317.437 1.779 20 10 DDCDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881378314 707224038 /nfs/dbraw/zinc/22/40/38/707224038.db2.gz MRKDSJTXXFJLBY-UHFFFAOYSA-N 1 2 317.437 1.779 20 10 DDCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1cccc(F)c1O ZINC001138122687 749880553 /nfs/dbraw/zinc/88/05/53/749880553.db2.gz UZZDLPFWGZTMRA-CABZTGNLSA-N 1 2 309.259 1.391 20 10 DDCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1cccc(F)c1O ZINC001138122687 749880559 /nfs/dbraw/zinc/88/05/59/749880559.db2.gz UZZDLPFWGZTMRA-CABZTGNLSA-N 1 2 309.259 1.391 20 10 DDCDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cccc(O)c1O ZINC001148220135 773401224 /nfs/dbraw/zinc/40/12/24/773401224.db2.gz SJKFZBWTJDFDOQ-UHFFFAOYSA-N 1 2 307.375 1.793 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172230482 776716383 /nfs/dbraw/zinc/71/63/83/776716383.db2.gz ZZIJNMSEUWGWSB-GSPSYOTPSA-N 1 2 319.357 1.258 20 10 DDCDLO CC[C@@H](C(=O)NCc1c(O)cccc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC001178912715 779225993 /nfs/dbraw/zinc/22/59/93/779225993.db2.gz WYUXVOQCSDTFBV-OCCSQVGLSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@@H](C(=O)NCc1c(O)cccc1O)[N@H+]1CCO[C@H](CC)C1 ZINC001178912715 779225998 /nfs/dbraw/zinc/22/59/98/779225998.db2.gz WYUXVOQCSDTFBV-OCCSQVGLSA-N 1 2 322.405 1.603 20 10 DDCDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001273285641 849334844 /nfs/dbraw/zinc/33/48/44/849334844.db2.gz UPHKKBFITIVCFA-UHFFFAOYSA-N 1 2 322.380 1.745 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635649 867707542 /nfs/dbraw/zinc/70/75/42/867707542.db2.gz CQXKZTYMZBQHHC-IAGOWNOFSA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635649 867707553 /nfs/dbraw/zinc/70/75/53/867707553.db2.gz CQXKZTYMZBQHHC-IAGOWNOFSA-N 1 2 318.417 1.785 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c(O)c1OC ZINC001336762195 869128476 /nfs/dbraw/zinc/12/84/76/869128476.db2.gz ZOXUZYRGVFGLPI-MQJDWESPSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c(O)c1OC ZINC001336762195 869128483 /nfs/dbraw/zinc/12/84/83/869128483.db2.gz ZOXUZYRGVFGLPI-MQJDWESPSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c(O)c1OC ZINC001336762196 869129285 /nfs/dbraw/zinc/12/92/85/869129285.db2.gz ZOXUZYRGVFGLPI-WIUDPPPLSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c(O)c1OC ZINC001336762196 869129289 /nfs/dbraw/zinc/12/92/89/869129289.db2.gz ZOXUZYRGVFGLPI-WIUDPPPLSA-N 1 2 313.419 1.752 20 10 DDCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2C ZINC001203877467 870812385 /nfs/dbraw/zinc/81/23/85/870812385.db2.gz GTFDKMVYIFRMBE-ZDUSSCGKSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2C ZINC001203877467 870812389 /nfs/dbraw/zinc/81/23/89/870812389.db2.gz GTFDKMVYIFRMBE-ZDUSSCGKSA-N 1 2 317.389 1.967 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2nnc(C3CC3)[nH]2)ccc1[N+](=O)[O-] ZINC001308784215 871526926 /nfs/dbraw/zinc/52/69/26/871526926.db2.gz DYNTUJAFBLHHED-UHFFFAOYSA-N 1 2 319.321 1.594 20 10 DDCDLO Oc1cc(F)c(F)cc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222681278 880646857 /nfs/dbraw/zinc/64/68/57/880646857.db2.gz PRQGGMJZBAORPQ-MRXNPFEDSA-N 1 2 311.376 1.588 20 10 DDCDLO NC(=O)c1[nH]nc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277457854 884529684 /nfs/dbraw/zinc/52/96/84/884529684.db2.gz LCFLFKFWJNHWMQ-UHFFFAOYSA-N 1 2 306.753 1.426 20 10 DDCDLO NC(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277457854 884529691 /nfs/dbraw/zinc/52/96/91/884529691.db2.gz LCFLFKFWJNHWMQ-UHFFFAOYSA-N 1 2 306.753 1.426 20 10 DDCDLO Cc1cccc(N2CCN(Cc3cc(O)c(O)c(O)c3)CC2)[nH+]1 ZINC001233010721 886721644 /nfs/dbraw/zinc/72/16/44/886721644.db2.gz UDPKAPOIOPFEGC-UHFFFAOYSA-N 1 2 315.373 1.829 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(C)c21 ZINC001233483621 887013990 /nfs/dbraw/zinc/01/39/90/887013990.db2.gz GNRLYAXXWHVBLE-NSHDSACASA-N 1 2 319.361 1.283 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(C)c21 ZINC001233483621 887013995 /nfs/dbraw/zinc/01/39/95/887013995.db2.gz GNRLYAXXWHVBLE-NSHDSACASA-N 1 2 319.361 1.283 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)CCN1C(C)=O ZINC001238066087 890008936 /nfs/dbraw/zinc/00/89/36/890008936.db2.gz HQNGNRBIBOJTDI-CQSZACIVSA-N 1 2 324.352 1.045 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)CCN1C(C)=O ZINC001238066087 890008953 /nfs/dbraw/zinc/00/89/53/890008953.db2.gz HQNGNRBIBOJTDI-CQSZACIVSA-N 1 2 324.352 1.045 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(OC)CC1 ZINC001255443113 896934310 /nfs/dbraw/zinc/93/43/10/896934310.db2.gz GOPQLWXMLJMBGT-RUXDESIVSA-N 1 2 323.389 1.729 20 10 DDCDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[nH]1 ZINC000278494616 539280592 /nfs/dbraw/zinc/28/05/92/539280592.db2.gz MBRZTHVGEKHPMQ-MRVPVSSYSA-N 1 2 321.337 1.840 20 10 DDCDLO CS(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000124521182 407361004 /nfs/dbraw/zinc/36/10/04/407361004.db2.gz KAMUQKJTULJEGA-UHFFFAOYSA-N 1 2 304.799 1.123 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1OC ZINC000271101906 407517578 /nfs/dbraw/zinc/51/75/78/407517578.db2.gz PUGCFNOQIBHFHB-NNOLRYQLSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1OC ZINC000271101906 407517583 /nfs/dbraw/zinc/51/75/83/407517583.db2.gz PUGCFNOQIBHFHB-NNOLRYQLSA-N 1 2 313.419 1.751 20 10 DDCDLO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000186578990 407710240 /nfs/dbraw/zinc/71/02/40/407710240.db2.gz JHXWCXDRMMRYPP-HOCLYGCPSA-N 1 2 324.377 1.956 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)c1O ZINC000268742752 408183675 /nfs/dbraw/zinc/18/36/75/408183675.db2.gz ZZAPMXXPCXQFCF-JTQLQIEISA-N 1 2 308.353 1.787 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)c1O ZINC000268742752 408183682 /nfs/dbraw/zinc/18/36/82/408183682.db2.gz ZZAPMXXPCXQFCF-JTQLQIEISA-N 1 2 308.353 1.787 20 10 DDCDLO C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000121979233 408248523 /nfs/dbraw/zinc/24/85/23/408248523.db2.gz RVVLWMBTOUWSGX-CQSZACIVSA-N 1 2 304.438 1.005 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@]23CCOC3)cc1OC ZINC000281716546 408916187 /nfs/dbraw/zinc/91/61/87/408916187.db2.gz IDNACVLOGVKHKT-MRXNPFEDSA-N 1 2 309.362 1.401 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@]23CCOC3)cc1OC ZINC000281716546 408916189 /nfs/dbraw/zinc/91/61/89/408916189.db2.gz IDNACVLOGVKHKT-MRXNPFEDSA-N 1 2 309.362 1.401 20 10 DDCDLO Cn1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000290097195 409302062 /nfs/dbraw/zinc/30/20/62/409302062.db2.gz WLVXMWZNJKXEGO-UHFFFAOYSA-N 1 2 301.394 1.284 20 10 DDCDLO Cn1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000290097195 409302063 /nfs/dbraw/zinc/30/20/63/409302063.db2.gz WLVXMWZNJKXEGO-UHFFFAOYSA-N 1 2 301.394 1.284 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000188616864 222019707 /nfs/dbraw/zinc/01/97/07/222019707.db2.gz IGYYBJFXRQYCHI-JKSUJKDBSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000188616864 222019710 /nfs/dbraw/zinc/01/97/10/222019710.db2.gz IGYYBJFXRQYCHI-JKSUJKDBSA-N 1 2 306.406 1.641 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2O)n1 ZINC000369594690 418735542 /nfs/dbraw/zinc/73/55/42/418735542.db2.gz KARAQJGBXHMYHV-SNVBAGLBSA-N 1 2 306.297 1.350 20 10 DDCDLO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2cccc(F)c2O)n1 ZINC000369594690 418735544 /nfs/dbraw/zinc/73/55/44/418735544.db2.gz KARAQJGBXHMYHV-SNVBAGLBSA-N 1 2 306.297 1.350 20 10 DDCDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1O ZINC000378500331 418724490 /nfs/dbraw/zinc/72/44/90/418724490.db2.gz RBPXYUJGVDSILI-HNNXBMFYSA-N 1 2 300.333 1.944 20 10 DDCDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1O ZINC000378500331 418724491 /nfs/dbraw/zinc/72/44/91/418724491.db2.gz RBPXYUJGVDSILI-HNNXBMFYSA-N 1 2 300.333 1.944 20 10 DDCDLO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000273456640 279538343 /nfs/dbraw/zinc/53/83/43/279538343.db2.gz HDWHBFJRABDPQQ-MFKMUULPSA-N 1 2 307.350 1.960 20 10 DDCDLO COCCN(C)CC[NH2+]Cc1cccc(Br)c1O ZINC000061377972 696318695 /nfs/dbraw/zinc/31/86/95/696318695.db2.gz XAYOUJUOQFBDOS-UHFFFAOYSA-N 1 2 317.227 1.823 20 10 DDCDLO CCNC(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000133180241 696823166 /nfs/dbraw/zinc/82/31/66/696823166.db2.gz KOYDHZJQVGVFBV-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO CCNC(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000133180241 696823169 /nfs/dbraw/zinc/82/31/69/696823169.db2.gz KOYDHZJQVGVFBV-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO COCCc1noc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160400023 697317032 /nfs/dbraw/zinc/31/70/32/697317032.db2.gz NLMRQXXBKPPWFU-UHFFFAOYSA-N 1 2 321.377 1.913 20 10 DDCDLO COCCc1noc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160400023 697317035 /nfs/dbraw/zinc/31/70/35/697317035.db2.gz NLMRQXXBKPPWFU-UHFFFAOYSA-N 1 2 321.377 1.913 20 10 DDCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ncn(C)n1 ZINC000391923615 699099731 /nfs/dbraw/zinc/09/97/31/699099731.db2.gz HBGHPTZWGBAGEB-ZDUSSCGKSA-N 1 2 301.394 1.503 20 10 DDCDLO CCOC(=O)[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000789580913 699396949 /nfs/dbraw/zinc/39/69/49/699396949.db2.gz NDJZMYRUFXFTAQ-OAHLLOKOSA-N 1 2 311.353 1.979 20 10 DDCDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839579042 701743531 /nfs/dbraw/zinc/74/35/31/701743531.db2.gz ITRVYRSDHITAHV-AWEZNQCLSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839579042 701743536 /nfs/dbraw/zinc/74/35/36/701743536.db2.gz ITRVYRSDHITAHV-AWEZNQCLSA-N 1 2 319.449 1.868 20 10 DDCDLO COCC[N@H+](Cc1c(O)cc(C)cc1Cl)[C@H](C)C(N)=O ZINC000840914373 702277485 /nfs/dbraw/zinc/27/74/85/702277485.db2.gz UCPHPDKKLFFXFS-SNVBAGLBSA-N 1 2 300.786 1.676 20 10 DDCDLO COCC[N@@H+](Cc1c(O)cc(C)cc1Cl)[C@H](C)C(N)=O ZINC000840914373 702277489 /nfs/dbraw/zinc/27/74/89/702277489.db2.gz UCPHPDKKLFFXFS-SNVBAGLBSA-N 1 2 300.786 1.676 20 10 DDCDLO COc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)c(OC)c1 ZINC000879461950 706686021 /nfs/dbraw/zinc/68/60/21/706686021.db2.gz IENCCOMHRFVRRN-OAQYLSRUSA-N 1 2 312.435 1.204 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000866765121 706793340 /nfs/dbraw/zinc/79/33/40/706793340.db2.gz RVDVCMNPGIUWHZ-OOPCZODUSA-N 1 2 320.389 1.466 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862475615 705721405 /nfs/dbraw/zinc/72/14/05/705721405.db2.gz QMJJVLWFWVJSRY-CQSZACIVSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862475615 705721406 /nfs/dbraw/zinc/72/14/06/705721406.db2.gz QMJJVLWFWVJSRY-CQSZACIVSA-N 1 2 317.744 1.949 20 10 DDCDLO OCCO[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000826940282 705895148 /nfs/dbraw/zinc/89/51/48/705895148.db2.gz BPTMFBRRPMGCSX-CQSZACIVSA-N 1 2 319.760 1.442 20 10 DDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865027414 706328435 /nfs/dbraw/zinc/32/84/35/706328435.db2.gz ORXQFXNXKIJPSN-OAHLLOKOSA-N 1 2 302.378 1.558 20 10 DDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900027888 709271347 /nfs/dbraw/zinc/27/13/47/709271347.db2.gz VFBMBSOOPDAUCV-UHFFFAOYSA-N 1 2 314.389 1.447 20 10 DDCDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893630320 710754412 /nfs/dbraw/zinc/75/44/12/710754412.db2.gz HXWHSMVCSRADHD-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893630320 710754416 /nfs/dbraw/zinc/75/44/16/710754416.db2.gz HXWHSMVCSRADHD-GFCCVEGCSA-N 1 2 309.362 1.937 20 10 DDCDLO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1c1ccccn1 ZINC001144516087 772559038 /nfs/dbraw/zinc/55/90/38/772559038.db2.gz OXASJWPEDLIDGY-UHFFFAOYSA-N 1 2 315.329 1.047 20 10 DDCDLO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCN1c1ccccn1 ZINC001144516087 772559041 /nfs/dbraw/zinc/55/90/41/772559041.db2.gz OXASJWPEDLIDGY-UHFFFAOYSA-N 1 2 315.329 1.047 20 10 DDCDLO CCOC(=O)C[N@H+](CCCC(=O)OC)Cc1ccccc1O ZINC001171389696 774335800 /nfs/dbraw/zinc/33/58/00/774335800.db2.gz BRWASLSGWCUDBR-UHFFFAOYSA-N 1 2 309.362 1.711 20 10 DDCDLO CCOC(=O)C[N@@H+](CCCC(=O)OC)Cc1ccccc1O ZINC001171389696 774335806 /nfs/dbraw/zinc/33/58/06/774335806.db2.gz BRWASLSGWCUDBR-UHFFFAOYSA-N 1 2 309.362 1.711 20 10 DDCDLO C[NH+](C)CCN1CCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001275306500 852968989 /nfs/dbraw/zinc/96/89/89/852968989.db2.gz KVFBYLYPARJMCC-UHFFFAOYSA-N 1 2 311.376 1.492 20 10 DDCDLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137834459 859982777 /nfs/dbraw/zinc/98/27/77/859982777.db2.gz HNEVLGZKOODHHO-UHFFFAOYSA-N 1 2 322.380 1.745 20 10 DDCDLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137834459 859982784 /nfs/dbraw/zinc/98/27/84/859982784.db2.gz HNEVLGZKOODHHO-UHFFFAOYSA-N 1 2 322.380 1.745 20 10 DDCDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cc1F ZINC001277009074 881609349 /nfs/dbraw/zinc/60/93/49/881609349.db2.gz FAUJMXMNEQRXHP-UHFFFAOYSA-N 1 2 302.353 1.880 20 10 DDCDLO CN1CCN(c2ccc(C[N@@H+]3CC[C@]34CCOC4)cc2F)CC1 ZINC001328791595 863229277 /nfs/dbraw/zinc/22/92/77/863229277.db2.gz ISGVSCRNWWSJRZ-GOSISDBHSA-N 1 2 319.424 1.942 20 10 DDCDLO CN1CCN(c2ccc(C[N@H+]3CC[C@]34CCOC4)cc2F)CC1 ZINC001328791595 863229284 /nfs/dbraw/zinc/22/92/84/863229284.db2.gz ISGVSCRNWWSJRZ-GOSISDBHSA-N 1 2 319.424 1.942 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348022402 874337992 /nfs/dbraw/zinc/33/79/92/874337992.db2.gz IESONFQYLFPGEX-UHFFFAOYSA-N 1 2 301.346 1.916 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277484163 885186521 /nfs/dbraw/zinc/18/65/21/885186521.db2.gz KRDSPKCGHWUESY-MGPLVRAMSA-N 1 2 316.336 1.858 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277484163 885186528 /nfs/dbraw/zinc/18/65/28/885186528.db2.gz KRDSPKCGHWUESY-MGPLVRAMSA-N 1 2 316.336 1.858 20 10 DDCDLO COc1cc(C[N@@H+]2CCc3ncncc3C2)c(O)c(OC)c1 ZINC001237676145 889797330 /nfs/dbraw/zinc/79/73/30/889797330.db2.gz JTOKJFGNMKSCJV-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1cc(C[N@H+]2CCc3ncncc3C2)c(O)c(OC)c1 ZINC001237676145 889797336 /nfs/dbraw/zinc/79/73/36/889797336.db2.gz JTOKJFGNMKSCJV-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)C(C)C)CC2)c(O)c(OC)c1 ZINC001237684263 889801229 /nfs/dbraw/zinc/80/12/29/889801229.db2.gz PQBGEVQEBDMTMU-UHFFFAOYSA-N 1 2 322.405 1.710 20 10 DDCDLO CCOC(=O)C1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271788986 407731940 /nfs/dbraw/zinc/73/19/40/407731940.db2.gz ITMRHNOXXWVVPW-UHFFFAOYSA-N 1 2 313.781 1.936 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000186828939 407780780 /nfs/dbraw/zinc/78/07/80/407780780.db2.gz JRDQLLUZHCKGJT-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000273465211 408211351 /nfs/dbraw/zinc/21/13/51/408211351.db2.gz DPHHOWBPLRRAEA-NXEZZACHSA-N 1 2 304.350 1.719 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c1O ZINC000276293226 408830472 /nfs/dbraw/zinc/83/04/72/408830472.db2.gz UAELMJAMTAVYSX-GXTWGEPZSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)c1O ZINC000276293226 408830475 /nfs/dbraw/zinc/83/04/75/408830475.db2.gz UAELMJAMTAVYSX-GXTWGEPZSA-N 1 2 309.362 1.289 20 10 DDCDLO O=C1CCN(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000278436391 409083661 /nfs/dbraw/zinc/08/36/61/409083661.db2.gz UWBLRVSRFIUFPZ-UHFFFAOYSA-N 1 2 313.195 1.867 20 10 DDCDLO O=C1CO[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2N1 ZINC000366775159 418516643 /nfs/dbraw/zinc/51/66/43/418516643.db2.gz MGPKCDHGXNIPOK-JQWIXIFHSA-N 1 2 314.744 1.274 20 10 DDCDLO O=C1CO[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2N1 ZINC000366775159 418516644 /nfs/dbraw/zinc/51/66/44/418516644.db2.gz MGPKCDHGXNIPOK-JQWIXIFHSA-N 1 2 314.744 1.274 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000377690645 418713094 /nfs/dbraw/zinc/71/30/94/418713094.db2.gz DIOKHURRAIAUEX-OCCSQVGLSA-N 1 2 307.346 1.501 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000377690645 418713096 /nfs/dbraw/zinc/71/30/96/418713096.db2.gz DIOKHURRAIAUEX-OCCSQVGLSA-N 1 2 307.346 1.501 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(n3cc(C)cn3)C2)cc1OC ZINC000375841771 418689620 /nfs/dbraw/zinc/68/96/20/418689620.db2.gz ORYMJVPFIAIFDP-UHFFFAOYSA-N 1 2 303.362 1.971 20 10 DDCDLO CNC(=O)CC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000370436618 418744717 /nfs/dbraw/zinc/74/47/17/418744717.db2.gz NAXNAPBEAQFOED-UHFFFAOYSA-N 1 2 319.405 1.259 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374077977 483937216 /nfs/dbraw/zinc/93/72/16/483937216.db2.gz HUFOEQXICXCFFC-IYBDPMFKSA-N 1 2 303.406 1.232 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374077977 483937224 /nfs/dbraw/zinc/93/72/24/483937224.db2.gz HUFOEQXICXCFFC-IYBDPMFKSA-N 1 2 303.406 1.232 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000127481486 522194417 /nfs/dbraw/zinc/19/44/17/522194417.db2.gz XMJPUKASOKCYIS-UHFFFAOYSA-N 1 2 301.394 1.828 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1OC ZINC000180562001 522774465 /nfs/dbraw/zinc/77/44/65/522774465.db2.gz LWQJXPHCRPZJDG-LBPRGKRZSA-N 1 2 318.377 1.875 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2nncn2C)cc1OC ZINC000180562001 522774472 /nfs/dbraw/zinc/77/44/72/522774472.db2.gz LWQJXPHCRPZJDG-LBPRGKRZSA-N 1 2 318.377 1.875 20 10 DDCDLO COCCN1CC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000160819633 697320309 /nfs/dbraw/zinc/32/03/09/697320309.db2.gz DKEAGXUXXIVHRK-UHFFFAOYSA-N 1 2 318.417 1.562 20 10 DDCDLO COCCN1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000160819633 697320310 /nfs/dbraw/zinc/32/03/10/697320310.db2.gz DKEAGXUXXIVHRK-UHFFFAOYSA-N 1 2 318.417 1.562 20 10 DDCDLO COc1cc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)cc1C ZINC000179443351 697437719 /nfs/dbraw/zinc/43/77/19/697437719.db2.gz FYDYWOOCDCTIPM-AWEZNQCLSA-N 1 2 308.378 1.046 20 10 DDCDLO COc1cc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)cc1C ZINC000179443351 697437721 /nfs/dbraw/zinc/43/77/21/697437721.db2.gz FYDYWOOCDCTIPM-AWEZNQCLSA-N 1 2 308.378 1.046 20 10 DDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC000775713438 698025334 /nfs/dbraw/zinc/02/53/34/698025334.db2.gz NZBFEEHOWRDUCW-SNVBAGLBSA-N 1 2 303.811 1.912 20 10 DDCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC000775713438 698025336 /nfs/dbraw/zinc/02/53/36/698025336.db2.gz NZBFEEHOWRDUCW-SNVBAGLBSA-N 1 2 303.811 1.912 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CO)O1 ZINC000787417677 699211057 /nfs/dbraw/zinc/21/10/57/699211057.db2.gz MSUTYQAPBZFNGN-HIFRSBDPSA-N 1 2 324.396 1.244 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CO)O1 ZINC000787417677 699211059 /nfs/dbraw/zinc/21/10/59/699211059.db2.gz MSUTYQAPBZFNGN-HIFRSBDPSA-N 1 2 324.396 1.244 20 10 DDCDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000725855710 699336439 /nfs/dbraw/zinc/33/64/39/699336439.db2.gz CMXPMNXBOAWWBP-CQSZACIVSA-N 1 2 320.437 1.273 20 10 DDCDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000725855710 699336443 /nfs/dbraw/zinc/33/64/43/699336443.db2.gz CMXPMNXBOAWWBP-CQSZACIVSA-N 1 2 320.437 1.273 20 10 DDCDLO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000801522641 700316948 /nfs/dbraw/zinc/31/69/48/700316948.db2.gz XWAAHGPVLDTNCU-ZDUSSCGKSA-N 1 2 312.435 1.803 20 10 DDCDLO CC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000801522641 700316951 /nfs/dbraw/zinc/31/69/51/700316951.db2.gz XWAAHGPVLDTNCU-ZDUSSCGKSA-N 1 2 312.435 1.803 20 10 DDCDLO FC(F)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000802655104 700415914 /nfs/dbraw/zinc/41/59/14/700415914.db2.gz PSFXBIFJAYDZGJ-OAHLLOKOSA-N 1 2 312.360 1.989 20 10 DDCDLO FC(F)[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000802655104 700415915 /nfs/dbraw/zinc/41/59/15/700415915.db2.gz PSFXBIFJAYDZGJ-OAHLLOKOSA-N 1 2 312.360 1.989 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000768182181 701162016 /nfs/dbraw/zinc/16/20/16/701162016.db2.gz WDJWHFCNRNGOPB-INIZCTEOSA-N 1 2 320.389 1.224 20 10 DDCDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1O ZINC000867955456 701852000 /nfs/dbraw/zinc/85/20/00/701852000.db2.gz BJBCUUOEMGVKTE-ZDUSSCGKSA-N 1 2 321.421 1.863 20 10 DDCDLO COCC(COC)[NH+]1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000840171875 702009576 /nfs/dbraw/zinc/00/95/76/702009576.db2.gz QLRDKDVZKIOSGV-UHFFFAOYSA-N 1 2 322.449 1.788 20 10 DDCDLO COCCCNC(=O)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840910992 702277572 /nfs/dbraw/zinc/27/75/72/702277572.db2.gz ZNZKMELFBFCRTN-UHFFFAOYSA-N 1 2 314.813 1.939 20 10 DDCDLO COCCCNC(=O)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840910992 702277575 /nfs/dbraw/zinc/27/75/75/702277575.db2.gz ZNZKMELFBFCRTN-UHFFFAOYSA-N 1 2 314.813 1.939 20 10 DDCDLO C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000845281344 703138107 /nfs/dbraw/zinc/13/81/07/703138107.db2.gz NCEYMAPXFBIVJT-SNVBAGLBSA-N 1 2 304.302 1.672 20 10 DDCDLO COc1ccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000854198913 704366005 /nfs/dbraw/zinc/36/60/05/704366005.db2.gz SYIUBEZHHWRBKH-UHFFFAOYSA-N 1 2 300.362 1.310 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000857226250 704565917 /nfs/dbraw/zinc/56/59/17/704565917.db2.gz JAYUETDJVOHKSC-MJGOQNOKSA-N 1 2 314.477 1.752 20 10 DDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000825112230 705602691 /nfs/dbraw/zinc/60/26/91/705602691.db2.gz RXQBLXAFUJIGIK-UHFFFAOYSA-N 1 2 302.777 1.731 20 10 DDCDLO COc1ccc(N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000825425962 705669153 /nfs/dbraw/zinc/66/91/53/705669153.db2.gz QKEDHPUANKPYKX-UHFFFAOYSA-N 1 2 314.389 1.746 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000862757213 705791341 /nfs/dbraw/zinc/79/13/41/705791341.db2.gz LIFUZBRPPKACNL-MRXNPFEDSA-N 1 2 318.417 1.960 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000862757213 705791343 /nfs/dbraw/zinc/79/13/43/705791343.db2.gz LIFUZBRPPKACNL-MRXNPFEDSA-N 1 2 318.417 1.960 20 10 DDCDLO COCC[N@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1O ZINC000876738252 705850027 /nfs/dbraw/zinc/85/00/27/705850027.db2.gz ZENLZQWWXFALHB-UHFFFAOYSA-N 1 2 303.305 1.682 20 10 DDCDLO COCC[N@@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1O ZINC000876738252 705850031 /nfs/dbraw/zinc/85/00/31/705850031.db2.gz ZENLZQWWXFALHB-UHFFFAOYSA-N 1 2 303.305 1.682 20 10 DDCDLO O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1CC(F)(F)F ZINC000877027545 705964404 /nfs/dbraw/zinc/96/44/04/705964404.db2.gz OOWRZPQHTVVGCA-SECBINFHSA-N 1 2 324.249 1.923 20 10 DDCDLO COC(=O)C[N@@H+](CC[C@H](C)O)Cc1cc(Cl)ccc1O ZINC000828293612 706155578 /nfs/dbraw/zinc/15/55/78/706155578.db2.gz PTEAFOLFAYMFRG-JTQLQIEISA-N 1 2 301.770 1.792 20 10 DDCDLO CN(C)c1ccc(CNS(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC000881760680 707356178 /nfs/dbraw/zinc/35/61/78/707356178.db2.gz ITFXKHMEYMWHQK-UHFFFAOYSA-N 1 2 308.407 1.069 20 10 DDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000900337274 709544373 /nfs/dbraw/zinc/54/43/73/709544373.db2.gz DNPTVNSIUBDESV-UHFFFAOYSA-N 1 2 300.362 1.105 20 10 DDCDLO COc1ccc(N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000900509546 709629555 /nfs/dbraw/zinc/62/95/55/709629555.db2.gz UWFOVXQZCDNJJD-UHFFFAOYSA-N 1 2 314.389 1.746 20 10 DDCDLO O=C1N=NCN1C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894610902 711212981 /nfs/dbraw/zinc/21/29/81/711212981.db2.gz GQHVNIZXVUPDMT-UHFFFAOYSA-N 1 2 310.304 1.805 20 10 DDCDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2c(O)cccc2F)[nH]n1 ZINC000928706668 713468800 /nfs/dbraw/zinc/46/88/00/713468800.db2.gz UPJQJLVOPFGTPY-AWEZNQCLSA-N 1 2 318.352 1.951 20 10 DDCDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2c(O)cccc2F)[nH]n1 ZINC000928706668 713468801 /nfs/dbraw/zinc/46/88/01/713468801.db2.gz UPJQJLVOPFGTPY-AWEZNQCLSA-N 1 2 318.352 1.951 20 10 DDCDLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994281 760677153 /nfs/dbraw/zinc/67/71/53/760677153.db2.gz HYZQHSNNIWIKRV-ZDUSSCGKSA-N 1 2 321.356 1.965 20 10 DDCDLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994281 760677155 /nfs/dbraw/zinc/67/71/55/760677155.db2.gz HYZQHSNNIWIKRV-ZDUSSCGKSA-N 1 2 321.356 1.965 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC001327574380 862286184 /nfs/dbraw/zinc/28/61/84/862286184.db2.gz UJAJPOTWRYIAMR-QGZVFWFLSA-N 1 2 303.406 1.234 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@]23CCOC3)cc1 ZINC001327574380 862286200 /nfs/dbraw/zinc/28/62/00/862286200.db2.gz UJAJPOTWRYIAMR-QGZVFWFLSA-N 1 2 303.406 1.234 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC2(CN(C)C2)C1 ZINC001139133761 860300038 /nfs/dbraw/zinc/30/00/38/860300038.db2.gz OXBKJXCLAIODQU-UHFFFAOYSA-N 1 2 314.385 1.945 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC2(CN(C)C2)C1 ZINC001139133761 860300045 /nfs/dbraw/zinc/30/00/45/860300045.db2.gz OXBKJXCLAIODQU-UHFFFAOYSA-N 1 2 314.385 1.945 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cccnn3)CC2)c(OC)c1 ZINC001139976058 860531665 /nfs/dbraw/zinc/53/16/65/860531665.db2.gz SHNICLNMTNQHTG-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO CCO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(O)c(C)c3O)CCN2C1 ZINC001140748056 860691127 /nfs/dbraw/zinc/69/11/27/860691127.db2.gz FGWUQPLFVVYAIV-LSDHHAIUSA-N 1 2 306.406 1.701 20 10 DDCDLO CCO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(O)c(C)c3O)CCN2C1 ZINC001140748056 860691129 /nfs/dbraw/zinc/69/11/29/860691129.db2.gz FGWUQPLFVVYAIV-LSDHHAIUSA-N 1 2 306.406 1.701 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001141161500 860799328 /nfs/dbraw/zinc/79/93/28/860799328.db2.gz SDIMWNNPQSNPIF-UOJUARBOSA-N 1 2 307.346 1.250 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141161500 860799334 /nfs/dbraw/zinc/79/93/34/860799334.db2.gz SDIMWNNPQSNPIF-UOJUARBOSA-N 1 2 307.346 1.250 20 10 DDCDLO CCOc1ccc(N2CC[NH+]([C@@H]3CCN(OC)C3=O)CC2)cc1 ZINC001334625428 867715694 /nfs/dbraw/zinc/71/56/94/867715694.db2.gz IXVYWKOEVGLNTH-MRXNPFEDSA-N 1 2 319.405 1.370 20 10 DDCDLO Oc1cc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc(O)c1O ZINC001233016248 886730506 /nfs/dbraw/zinc/73/05/06/886730506.db2.gz QGYSSKNKXUVXJX-LLVKDONJSA-N 1 2 321.308 1.386 20 10 DDCDLO Oc1cc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc(O)c1O ZINC001233016248 886730515 /nfs/dbraw/zinc/73/05/15/886730515.db2.gz QGYSSKNKXUVXJX-LLVKDONJSA-N 1 2 321.308 1.386 20 10 DDCDLO COc1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1Cl ZINC001234993850 888318708 /nfs/dbraw/zinc/31/87/08/888318708.db2.gz WHJILAKXXQOVBX-OAHLLOKOSA-N 1 2 311.813 1.192 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1O ZINC001236792106 889356724 /nfs/dbraw/zinc/35/67/24/889356724.db2.gz BUERZWKNXDYLLV-CABZTGNLSA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1O ZINC001236792106 889356741 /nfs/dbraw/zinc/35/67/41/889356741.db2.gz BUERZWKNXDYLLV-CABZTGNLSA-N 1 2 306.189 1.874 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1Cl ZINC001236804411 889365567 /nfs/dbraw/zinc/36/55/67/889365567.db2.gz YUAWDSYGZHPJPM-WDEREUQCSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1Cl ZINC001236804411 889365579 /nfs/dbraw/zinc/36/55/79/889365579.db2.gz YUAWDSYGZHPJPM-WDEREUQCSA-N 1 2 301.770 1.229 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC001237617530 889763554 /nfs/dbraw/zinc/76/35/54/889763554.db2.gz SHFYOXHTAHFOEV-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC001237617530 889763559 /nfs/dbraw/zinc/76/35/59/889763559.db2.gz SHFYOXHTAHFOEV-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO Cc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000194747477 408796754 /nfs/dbraw/zinc/79/67/54/408796754.db2.gz ZDWBFHTZIZCVMS-BETUJISGSA-N 1 2 322.405 1.587 20 10 DDCDLO Cc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000194747477 408796756 /nfs/dbraw/zinc/79/67/56/408796756.db2.gz ZDWBFHTZIZCVMS-BETUJISGSA-N 1 2 322.405 1.587 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000293700485 409163204 /nfs/dbraw/zinc/16/32/04/409163204.db2.gz RMPFQJKBKWOQDJ-UHFFFAOYSA-N 1 2 306.341 1.328 20 10 DDCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000294185714 409256122 /nfs/dbraw/zinc/25/61/22/409256122.db2.gz JWSLQLFXMMIQFL-UHFFFAOYSA-N 1 2 302.777 1.997 20 10 DDCDLO CNC(=O)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295507968 409321575 /nfs/dbraw/zinc/32/15/75/409321575.db2.gz YXLBEQHBQHGLEJ-UHFFFAOYSA-N 1 2 301.749 1.642 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c(O)c1O ZINC000367094418 418559915 /nfs/dbraw/zinc/55/99/15/418559915.db2.gz XXRJKEOJXGJAMV-CQSZACIVSA-N 1 2 313.357 1.588 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000364304949 418775777 /nfs/dbraw/zinc/77/57/77/418775777.db2.gz MUILHGUQRGKXTN-AAEUAGOBSA-N 1 2 315.373 1.604 20 10 DDCDLO CCOc1ccc(N(CC)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000747682594 700081506 /nfs/dbraw/zinc/08/15/06/700081506.db2.gz OTXBAWSRDXFHHH-INIZCTEOSA-N 1 2 308.422 1.605 20 10 DDCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)CC(C)(C)C2=O)cc1 ZINC000125098621 696749349 /nfs/dbraw/zinc/74/93/49/696749349.db2.gz AIZOTPFLKNZFLY-UHFFFAOYSA-N 1 2 303.406 1.927 20 10 DDCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)CC(C)(C)C2=O)cc1 ZINC000125098621 696749352 /nfs/dbraw/zinc/74/93/52/696749352.db2.gz AIZOTPFLKNZFLY-UHFFFAOYSA-N 1 2 303.406 1.927 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]CCCn1ccnn1 ZINC000126637621 696764075 /nfs/dbraw/zinc/76/40/75/696764075.db2.gz HNZKDONQIHZWBL-UHFFFAOYSA-N 1 2 311.183 1.926 20 10 DDCDLO CC[N@@H+](CC(=O)NC)Cc1cccc(Br)c1O ZINC000132617146 696816749 /nfs/dbraw/zinc/81/67/49/696816749.db2.gz JKFCABLWCMEIDW-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO NC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775668680 698021246 /nfs/dbraw/zinc/02/12/46/698021246.db2.gz GPPVGUGJBCLHQU-UHFFFAOYSA-N 1 2 301.749 1.771 20 10 DDCDLO NC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775668680 698021247 /nfs/dbraw/zinc/02/12/47/698021247.db2.gz GPPVGUGJBCLHQU-UHFFFAOYSA-N 1 2 301.749 1.771 20 10 DDCDLO CNC(=O)Cc1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775837486 698042688 /nfs/dbraw/zinc/04/26/88/698042688.db2.gz SXCOQMJYRORTGM-LLVKDONJSA-N 1 2 317.393 1.275 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000762268254 700887515 /nfs/dbraw/zinc/88/75/15/700887515.db2.gz CGNBMEPKERIMKU-GFCCVEGCSA-N 1 2 301.346 1.216 20 10 DDCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2cnn(C)n2)c1 ZINC000808417247 701517495 /nfs/dbraw/zinc/51/74/95/701517495.db2.gz FXPRBNBMVSGKHZ-UHFFFAOYSA-N 1 2 311.183 1.881 20 10 DDCDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816586395 702120209 /nfs/dbraw/zinc/12/02/09/702120209.db2.gz GTMQCWHTULXNMP-MRVPVSSYSA-N 1 2 308.762 1.048 20 10 DDCDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816586395 702120212 /nfs/dbraw/zinc/12/02/12/702120212.db2.gz GTMQCWHTULXNMP-MRVPVSSYSA-N 1 2 308.762 1.048 20 10 DDCDLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871205116 704243320 /nfs/dbraw/zinc/24/33/20/704243320.db2.gz WWEMENVRKFTLJG-MRXNPFEDSA-N 1 2 316.401 1.878 20 10 DDCDLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871205116 704243321 /nfs/dbraw/zinc/24/33/21/704243321.db2.gz WWEMENVRKFTLJG-MRXNPFEDSA-N 1 2 316.401 1.878 20 10 DDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856216500 704518715 /nfs/dbraw/zinc/51/87/15/704518715.db2.gz WNOUHKRDMAZYSZ-UHFFFAOYSA-N 1 2 314.389 1.230 20 10 DDCDLO COCC(=O)N1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835024690 707157249 /nfs/dbraw/zinc/15/72/49/707157249.db2.gz BCYRKGMITRNWHH-PLNGDYQASA-N 1 2 317.433 1.556 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000824960160 705567525 /nfs/dbraw/zinc/56/75/25/705567525.db2.gz RPCTWGIUEGKIOW-LLVKDONJSA-N 1 2 313.195 1.913 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000824960160 705567530 /nfs/dbraw/zinc/56/75/30/705567530.db2.gz RPCTWGIUEGKIOW-LLVKDONJSA-N 1 2 313.195 1.913 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000862529723 705727036 /nfs/dbraw/zinc/72/70/36/705727036.db2.gz GLUZKMSYZBBPGY-NSHDSACASA-N 1 2 314.313 1.869 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000862529723 705727038 /nfs/dbraw/zinc/72/70/38/705727038.db2.gz GLUZKMSYZBBPGY-NSHDSACASA-N 1 2 314.313 1.869 20 10 DDCDLO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)N1CCOCC1 ZINC000877076710 705977957 /nfs/dbraw/zinc/97/79/57/705977957.db2.gz POFUFJISHAANCK-LBPRGKRZSA-N 1 2 314.332 1.397 20 10 DDCDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(F)c(F)c1O ZINC000877458404 706112712 /nfs/dbraw/zinc/11/27/12/706112712.db2.gz RZCSQNKBDMRBAB-NSHDSACASA-N 1 2 314.376 1.947 20 10 DDCDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(F)c(F)c1O ZINC000877458404 706112714 /nfs/dbraw/zinc/11/27/14/706112714.db2.gz RZCSQNKBDMRBAB-NSHDSACASA-N 1 2 314.376 1.947 20 10 DDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@@H+]1CC(C)(C)O ZINC000877461078 706113318 /nfs/dbraw/zinc/11/33/18/706113318.db2.gz YINFZLQIZKBQEW-LLVKDONJSA-N 1 2 314.376 1.947 20 10 DDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@H+]1CC(C)(C)O ZINC000877461078 706113319 /nfs/dbraw/zinc/11/33/19/706113319.db2.gz YINFZLQIZKBQEW-LLVKDONJSA-N 1 2 314.376 1.947 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CCN([S@](C)(=N)=O)CC2)c1 ZINC000877791405 706215730 /nfs/dbraw/zinc/21/57/30/706215730.db2.gz DKOMZVKGFMCVDK-NRFANRHFSA-N 1 2 313.423 1.500 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000878983357 706551875 /nfs/dbraw/zinc/55/18/75/706551875.db2.gz KWKJYPFISJWVAO-IUODEOHRSA-N 1 2 313.781 1.566 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000878983357 706551877 /nfs/dbraw/zinc/55/18/77/706551877.db2.gz KWKJYPFISJWVAO-IUODEOHRSA-N 1 2 313.781 1.566 20 10 DDCDLO CC[N@H+](CCC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000896707595 708126003 /nfs/dbraw/zinc/12/60/03/708126003.db2.gz WWFIVBCTQFGPOD-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO CC[N@@H+](CCC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000896707595 708126006 /nfs/dbraw/zinc/12/60/06/708126006.db2.gz WWFIVBCTQFGPOD-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892142924 710379458 /nfs/dbraw/zinc/37/94/58/710379458.db2.gz HBMFUTIXPIVDKX-LBPRGKRZSA-N 1 2 308.378 1.510 20 10 DDCDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892142924 710379459 /nfs/dbraw/zinc/37/94/59/710379459.db2.gz HBMFUTIXPIVDKX-LBPRGKRZSA-N 1 2 308.378 1.510 20 10 DDCDLO CN(C)c1ccc(/C=C\C[NH+]2CC(C3CS(=O)(=O)C3)C2)cc1 ZINC000895423675 711508951 /nfs/dbraw/zinc/50/89/51/711508951.db2.gz BACDAUDIFYYIRF-ARJAWSKDSA-N 1 2 320.458 1.742 20 10 DDCDLO O=C1C[C@@H](CC[NH2+]Cc2cccc(Br)c2O)CN1 ZINC000922780416 714145623 /nfs/dbraw/zinc/14/56/23/714145623.db2.gz ATBUWBYWIUASRU-SECBINFHSA-N 1 2 313.195 1.771 20 10 DDCDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001182072195 743469706 /nfs/dbraw/zinc/46/97/06/743469706.db2.gz MPNHSZIMZABCNN-JTQLQIEISA-N 1 2 319.373 1.927 20 10 DDCDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001182072195 743469711 /nfs/dbraw/zinc/46/97/11/743469711.db2.gz MPNHSZIMZABCNN-JTQLQIEISA-N 1 2 319.373 1.927 20 10 DDCDLO Oc1cc(O)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC001144509466 772557099 /nfs/dbraw/zinc/55/70/99/772557099.db2.gz XDFHRZKGQIEWMU-CYBMUJFWSA-N 1 2 308.378 1.100 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216963 776706209 /nfs/dbraw/zinc/70/62/09/776706209.db2.gz UHWTXCPJHNOHFU-GSPSYOTPSA-N 1 2 321.373 1.482 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC001206232580 777602075 /nfs/dbraw/zinc/60/20/75/777602075.db2.gz LTAZIGAFKBOWMA-SECBINFHSA-N 1 2 306.322 1.893 20 10 DDCDLO COc1ccc(N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)cc1 ZINC001150069387 862062324 /nfs/dbraw/zinc/06/23/24/862062324.db2.gz IETHXGALKKACEM-UHFFFAOYSA-N 1 2 314.389 1.618 20 10 DDCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2CCC(=O)N2)C1 ZINC001202862891 860174488 /nfs/dbraw/zinc/17/44/88/860174488.db2.gz FLUVCXCJDFQEAI-GFCCVEGCSA-N 1 2 313.401 1.824 20 10 DDCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H]2CCC(=O)N2)C1 ZINC001202862891 860174490 /nfs/dbraw/zinc/17/44/90/860174490.db2.gz FLUVCXCJDFQEAI-GFCCVEGCSA-N 1 2 313.401 1.824 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(O)c(C)c1O ZINC001140744836 860690521 /nfs/dbraw/zinc/69/05/21/860690521.db2.gz MXVLVYHKYWCUIG-ZDUSSCGKSA-N 1 2 318.377 1.281 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140744836 860690524 /nfs/dbraw/zinc/69/05/24/860690524.db2.gz MXVLVYHKYWCUIG-ZDUSSCGKSA-N 1 2 318.377 1.281 20 10 DDCDLO CN(C1COC1)C1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143743 860793954 /nfs/dbraw/zinc/79/39/54/860793954.db2.gz IQQJYCRENFSFAN-UHFFFAOYSA-N 1 2 303.406 1.030 20 10 DDCDLO C[N@@H+]1CCc2nc(C(=O)NCc3ccccc3O)sc2C1 ZINC001154223649 860893853 /nfs/dbraw/zinc/89/38/53/860893853.db2.gz WAXQYFHPZNUPKG-UHFFFAOYSA-N 1 2 303.387 1.767 20 10 DDCDLO C[N@H+]1CCc2nc(C(=O)NCc3ccccc3O)sc2C1 ZINC001154223649 860893858 /nfs/dbraw/zinc/89/38/58/860893858.db2.gz WAXQYFHPZNUPKG-UHFFFAOYSA-N 1 2 303.387 1.767 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142531099 861172825 /nfs/dbraw/zinc/17/28/25/861172825.db2.gz PLDSQLZFKPSKAL-ZDUSSCGKSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142531099 861172839 /nfs/dbraw/zinc/17/28/39/861172839.db2.gz PLDSQLZFKPSKAL-ZDUSSCGKSA-N 1 2 301.289 1.434 20 10 DDCDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)NCC(F)(F)F ZINC001330603818 864480890 /nfs/dbraw/zinc/48/08/90/864480890.db2.gz WPIWCIIZKCWZLY-ZCFIWIBFSA-N 1 2 312.238 1.827 20 10 DDCDLO COc1cccc(C[NH+]2CC3(C2)CC[C@H](C(=O)N(C)C)O3)c1O ZINC001277451380 884393612 /nfs/dbraw/zinc/39/36/12/884393612.db2.gz DHRTYAIEGFNPGI-CQSZACIVSA-N 1 2 320.389 1.222 20 10 DDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(Cl)c(O)cc3O)[C@@H]2C1 ZINC001232257505 886189417 /nfs/dbraw/zinc/18/94/17/886189417.db2.gz GBXRMMAETJNDLX-TURKWSHLSA-N 1 2 313.781 1.723 20 10 DDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(Cl)c(O)cc3O)[C@@H]2C1 ZINC001232257505 886189423 /nfs/dbraw/zinc/18/94/23/886189423.db2.gz GBXRMMAETJNDLX-TURKWSHLSA-N 1 2 313.781 1.723 20 10 DDCDLO COC(=O)CN1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232268791 886198901 /nfs/dbraw/zinc/19/89/01/886198901.db2.gz RWWLOPIOMXMKQX-UHFFFAOYSA-N 1 2 314.769 1.042 20 10 DDCDLO C[C@@H]1C[N@H+](C2CN(Cc3cc(O)c(O)c(O)c3)C2)C[C@H](C)O1 ZINC001233016163 886732258 /nfs/dbraw/zinc/73/22/58/886732258.db2.gz ONWXFPWVXPAJQK-PHIMTYICSA-N 1 2 308.378 1.097 20 10 DDCDLO C[C@@H]1C[N@@H+](C2CN(Cc3cc(O)c(O)c(O)c3)C2)C[C@H](C)O1 ZINC001233016163 886732268 /nfs/dbraw/zinc/73/22/68/886732268.db2.gz ONWXFPWVXPAJQK-PHIMTYICSA-N 1 2 308.378 1.097 20 10 DDCDLO CCOC(=O)c1c(C[N@H+](C)CC(=O)NC)c2ccccc2n1C ZINC001233270711 886889099 /nfs/dbraw/zinc/88/90/99/886889099.db2.gz XPTXFAMOZITDGY-UHFFFAOYSA-N 1 2 317.389 1.533 20 10 DDCDLO CCOC(=O)c1c(C[N@@H+](C)CC(=O)NC)c2ccccc2n1C ZINC001233270711 886889114 /nfs/dbraw/zinc/88/91/14/886889114.db2.gz XPTXFAMOZITDGY-UHFFFAOYSA-N 1 2 317.389 1.533 20 10 DDCDLO COc1cc(Cl)cc(C[NH+]2CC(N(C)C3COC3)C2)c1O ZINC001233290150 886899077 /nfs/dbraw/zinc/89/90/77/886899077.db2.gz MFCCDHXFEXKGES-UHFFFAOYSA-N 1 2 312.797 1.569 20 10 DDCDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486330 887019272 /nfs/dbraw/zinc/01/92/72/887019272.db2.gz IXRJWCIFGRRAPR-UHFFFAOYSA-N 1 2 322.405 1.884 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)cc1O ZINC001233487910 887020839 /nfs/dbraw/zinc/02/08/39/887020839.db2.gz WILAEDXOMARSHK-UHFFFAOYSA-N 1 2 319.336 1.660 20 10 DDCDLO COc1cc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237678203 889799774 /nfs/dbraw/zinc/79/97/74/889799774.db2.gz KYUXIZQADCNTFZ-LBPRGKRZSA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237678203 889799779 /nfs/dbraw/zinc/79/97/79/889799779.db2.gz KYUXIZQADCNTFZ-LBPRGKRZSA-N 1 2 306.362 1.216 20 10 DDCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000352119605 410492656 /nfs/dbraw/zinc/49/26/56/410492656.db2.gz FIUFLCHHRQNMQW-CQSZACIVSA-N 1 2 315.417 1.824 20 10 DDCDLO COc1ccc(N(CC(C)C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000747684314 700081832 /nfs/dbraw/zinc/08/18/32/700081832.db2.gz YPVDBVKTJJKQOF-KRWDZBQOSA-N 1 2 322.449 1.851 20 10 DDCDLO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000775010845 697953936 /nfs/dbraw/zinc/95/39/36/697953936.db2.gz FYEHJHDAZWUURS-LLVKDONJSA-N 1 2 309.366 1.740 20 10 DDCDLO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000775010845 697953937 /nfs/dbraw/zinc/95/39/37/697953937.db2.gz FYEHJHDAZWUURS-LLVKDONJSA-N 1 2 309.366 1.740 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090379 697962364 /nfs/dbraw/zinc/96/23/64/697962364.db2.gz SXXNNUDFAWILRK-CABZTGNLSA-N 1 2 323.349 1.395 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090379 697962367 /nfs/dbraw/zinc/96/23/67/697962367.db2.gz SXXNNUDFAWILRK-CABZTGNLSA-N 1 2 323.349 1.395 20 10 DDCDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)C1CCOCC1 ZINC000789581437 699396865 /nfs/dbraw/zinc/39/68/65/699396865.db2.gz RDBHNUQZKRINJZ-INIZCTEOSA-N 1 2 323.389 1.849 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)c(OC)c1 ZINC000879463896 706686802 /nfs/dbraw/zinc/68/68/02/706686802.db2.gz URQDPIBWNFDGSD-CYBMUJFWSA-N 1 2 321.421 1.303 20 10 DDCDLO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000846189770 703248893 /nfs/dbraw/zinc/24/88/93/703248893.db2.gz SCAOOFLCCMOZPE-SCZZXKLOSA-N 1 2 320.361 1.355 20 10 DDCDLO c1cc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc2c1OCC2 ZINC000848562852 703563363 /nfs/dbraw/zinc/56/33/63/703563363.db2.gz NUVHRZZHMUGIOQ-CQSZACIVSA-N 1 2 300.362 1.881 20 10 DDCDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000874046799 704925821 /nfs/dbraw/zinc/92/58/21/704925821.db2.gz DSMBUONXWSEWAR-UHFFFAOYSA-N 1 2 316.760 1.823 20 10 DDCDLO COC(=O)C1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000822530228 704968466 /nfs/dbraw/zinc/96/84/66/704968466.db2.gz VCSWNHBWHJPICH-UHFFFAOYSA-N 1 2 310.306 1.304 20 10 DDCDLO CCOC(=O)C[N@H+](CCn1cc(C)cn1)Cc1ccccc1O ZINC000823576607 705270893 /nfs/dbraw/zinc/27/08/93/705270893.db2.gz UDYRISORQSUSAI-UHFFFAOYSA-N 1 2 317.389 1.962 20 10 DDCDLO CCOC(=O)C[N@@H+](CCn1cc(C)cn1)Cc1ccccc1O ZINC000823576607 705270897 /nfs/dbraw/zinc/27/08/97/705270897.db2.gz UDYRISORQSUSAI-UHFFFAOYSA-N 1 2 317.389 1.962 20 10 DDCDLO CCOC(=O)C[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1O ZINC000823581372 705271163 /nfs/dbraw/zinc/27/11/63/705271163.db2.gz HQEIJQCSUKIJID-ZDUSSCGKSA-N 1 2 321.373 1.711 20 10 DDCDLO CCOC(=O)C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1O ZINC000823581372 705271167 /nfs/dbraw/zinc/27/11/67/705271167.db2.gz HQEIJQCSUKIJID-ZDUSSCGKSA-N 1 2 321.373 1.711 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877593033 706152492 /nfs/dbraw/zinc/15/24/92/706152492.db2.gz MZSGSGWQRLHKRV-GHMZBOCLSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877593033 706152496 /nfs/dbraw/zinc/15/24/96/706152496.db2.gz MZSGSGWQRLHKRV-GHMZBOCLSA-N 1 2 300.349 1.557 20 10 DDCDLO OCC1(CO)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000877798543 706219122 /nfs/dbraw/zinc/21/91/22/706219122.db2.gz WTAWXWCCUJDBOZ-UHFFFAOYSA-N 1 2 303.761 1.752 20 10 DDCDLO C[C@]1(C[NH2+]Cc2cccc(Br)c2O)CCC(=O)N1 ZINC000835060832 707165211 /nfs/dbraw/zinc/16/52/11/707165211.db2.gz OECVXNRBXZYOKI-CYBMUJFWSA-N 1 2 313.195 1.913 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CC(OCC(=O)N(C)C)C2)c1 ZINC000839138680 708029570 /nfs/dbraw/zinc/02/95/70/708029570.db2.gz SQZRXXIENPEWFS-UHFFFAOYSA-N 1 2 308.378 1.080 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001139129381 860297606 /nfs/dbraw/zinc/29/76/06/860297606.db2.gz XQSCKRPEQGTZFZ-SNVBAGLBSA-N 1 2 302.330 1.114 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001139129381 860297611 /nfs/dbraw/zinc/29/76/11/860297611.db2.gz XQSCKRPEQGTZFZ-SNVBAGLBSA-N 1 2 302.330 1.114 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141029168 860767537 /nfs/dbraw/zinc/76/75/37/860767537.db2.gz LCBQJYPJBRYCIW-UHFFFAOYSA-N 1 2 324.377 1.684 20 10 DDCDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)NCC(F)(F)F ZINC001330603817 864481174 /nfs/dbraw/zinc/48/11/74/864481174.db2.gz WPIWCIIZKCWZLY-LURJTMIESA-N 1 2 312.238 1.827 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c(O)c1OC ZINC001336762197 869128501 /nfs/dbraw/zinc/12/85/01/869128501.db2.gz ZOXUZYRGVFGLPI-WSVYEEACSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c(O)c1OC ZINC001336762197 869128508 /nfs/dbraw/zinc/12/85/08/869128508.db2.gz ZOXUZYRGVFGLPI-WSVYEEACSA-N 1 2 313.419 1.752 20 10 DDCDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(O)c(O)c(O)c1 ZINC001233011502 886724646 /nfs/dbraw/zinc/72/46/46/886724646.db2.gz BFBJISJYKNBHCC-UHFFFAOYSA-N 1 2 321.329 1.962 20 10 DDCDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cc(O)c(O)c(O)c1 ZINC001233011502 886724649 /nfs/dbraw/zinc/72/46/49/886724649.db2.gz BFBJISJYKNBHCC-UHFFFAOYSA-N 1 2 321.329 1.962 20 10 DDCDLO C[C@@]1(O)COCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416124 886984469 /nfs/dbraw/zinc/98/44/69/886984469.db2.gz WVSBGWUVKQTJCP-ZDUSSCGKSA-N 1 2 305.296 1.994 20 10 DDCDLO C[C@@]1(O)COCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416124 886984481 /nfs/dbraw/zinc/98/44/81/886984481.db2.gz WVSBGWUVKQTJCP-ZDUSSCGKSA-N 1 2 305.296 1.994 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1Cl ZINC001236801181 889358426 /nfs/dbraw/zinc/35/84/26/889358426.db2.gz HBOIYMBXHUZPGZ-MNOVXSKESA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1Cl ZINC001236801181 889358440 /nfs/dbraw/zinc/35/84/40/889358440.db2.gz HBOIYMBXHUZPGZ-MNOVXSKESA-N 1 2 301.770 1.229 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236809469 889367216 /nfs/dbraw/zinc/36/72/16/889367216.db2.gz WEKNWRGQXPLYFT-CQSZACIVSA-N 1 2 321.373 1.663 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236809469 889367228 /nfs/dbraw/zinc/36/72/28/889367228.db2.gz WEKNWRGQXPLYFT-CQSZACIVSA-N 1 2 321.373 1.663 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCC1=O ZINC001236809469 889367238 /nfs/dbraw/zinc/36/72/38/889367238.db2.gz WEKNWRGQXPLYFT-CQSZACIVSA-N 1 2 321.373 1.663 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCC1=O ZINC001236809469 889367251 /nfs/dbraw/zinc/36/72/51/889367251.db2.gz WEKNWRGQXPLYFT-CQSZACIVSA-N 1 2 321.373 1.663 20 10 DDCDLO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1O ZINC000280850429 296119634 /nfs/dbraw/zinc/11/96/34/296119634.db2.gz BLVPSXNEXDUUOA-MRVPVSSYSA-N 1 2 305.346 1.898 20 10 DDCDLO COc1cccc(CNc2cc(N3CCOCC3)nc[nH+]2)c1O ZINC000277305182 408915973 /nfs/dbraw/zinc/91/59/73/408915973.db2.gz CKCUAYZXPHRITE-UHFFFAOYSA-N 1 2 316.361 1.640 20 10 DDCDLO COc1cccc(CNc2cc(N3CCOCC3)[nH+]cn2)c1O ZINC000277305182 408915974 /nfs/dbraw/zinc/91/59/74/408915974.db2.gz CKCUAYZXPHRITE-UHFFFAOYSA-N 1 2 316.361 1.640 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000378346026 418721478 /nfs/dbraw/zinc/72/14/78/418721478.db2.gz CCVUGLVFWMVDCN-HZPDHXFCSA-N 1 2 320.433 1.822 20 10 DDCDLO Cn1cc(-c2nnc3n2CC[N@@H+](Cc2ccccc2O)C3)cn1 ZINC000378492438 418724542 /nfs/dbraw/zinc/72/45/42/418724542.db2.gz IDEUVVMFELPDCX-UHFFFAOYSA-N 1 2 310.361 1.400 20 10 DDCDLO Cn1cc(-c2nnc3n2CC[N@H+](Cc2ccccc2O)C3)cn1 ZINC000378492438 418724543 /nfs/dbraw/zinc/72/45/43/418724543.db2.gz IDEUVVMFELPDCX-UHFFFAOYSA-N 1 2 310.361 1.400 20 10 DDCDLO COc1cccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c1O ZINC000266321796 525991755 /nfs/dbraw/zinc/99/17/55/525991755.db2.gz SGXNGRJNFQMUNL-LLVKDONJSA-N 1 2 304.350 1.485 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000007359609 696025493 /nfs/dbraw/zinc/02/54/93/696025493.db2.gz FLMHWUTWYBRNJC-HNNXBMFYSA-N 1 2 319.449 1.978 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000773756707 697801098 /nfs/dbraw/zinc/80/10/98/697801098.db2.gz YHDLMLLYCWVAEA-KRWDZBQOSA-N 1 2 305.422 1.480 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000773756707 697801101 /nfs/dbraw/zinc/80/11/01/697801101.db2.gz YHDLMLLYCWVAEA-KRWDZBQOSA-N 1 2 305.422 1.480 20 10 DDCDLO C[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775676070 698021618 /nfs/dbraw/zinc/02/16/18/698021618.db2.gz KFWNKMKFHHUODS-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000313705101 698683645 /nfs/dbraw/zinc/68/36/45/698683645.db2.gz CEQGCXKWPIPITJ-UHFFFAOYSA-N 1 2 313.781 1.567 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2nc(C)n[nH]2)c1 ZINC000757635959 700666982 /nfs/dbraw/zinc/66/69/82/700666982.db2.gz CHEPXIKEILBPQH-VIFPVBQESA-N 1 2 304.350 1.499 20 10 DDCDLO CN(C)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769480997 701246918 /nfs/dbraw/zinc/24/69/18/701246918.db2.gz QIUGRBMYPPMGQD-OAQYLSRUSA-N 1 2 309.479 1.249 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC000808752075 701535118 /nfs/dbraw/zinc/53/51/18/701535118.db2.gz WSNXHORKADWQBV-QMTHXVAHSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC000808752075 701535120 /nfs/dbraw/zinc/53/51/20/701535120.db2.gz WSNXHORKADWQBV-QMTHXVAHSA-N 1 2 313.781 1.423 20 10 DDCDLO C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843044561 702807449 /nfs/dbraw/zinc/80/74/49/702807449.db2.gz JEUCMRPVUYYTIO-UHFFFAOYSA-N 1 2 315.776 1.048 20 10 DDCDLO C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843044561 702807451 /nfs/dbraw/zinc/80/74/51/702807451.db2.gz JEUCMRPVUYYTIO-UHFFFAOYSA-N 1 2 315.776 1.048 20 10 DDCDLO CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)[NH+]1CCOCC1 ZINC000874997018 705252041 /nfs/dbraw/zinc/25/20/41/705252041.db2.gz RAFFIJBBAYEZQP-UHFFFAOYSA-N 1 2 319.405 1.528 20 10 DDCDLO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000825280245 705639155 /nfs/dbraw/zinc/63/91/55/705639155.db2.gz ZXZJZWJDGUUJLF-SCZZXKLOSA-N 1 2 313.195 1.898 20 10 DDCDLO Oc1c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc(F)c1F ZINC000876688847 705820953 /nfs/dbraw/zinc/82/09/53/705820953.db2.gz WSIMSTAXAKDZRW-UONOGXRCSA-N 1 2 312.360 1.701 20 10 DDCDLO Cc1nc(NCc2ccc(N3CCSCC3)cc2)nc(N)[nH+]1 ZINC000865450817 706434625 /nfs/dbraw/zinc/43/46/25/706434625.db2.gz GRTRKCUUMBCIMR-UHFFFAOYSA-N 1 2 316.434 1.928 20 10 DDCDLO Cc1nc(N)nc(NCc2ccc(N3CCSCC3)cc2)[nH+]1 ZINC000865450817 706434627 /nfs/dbraw/zinc/43/46/27/706434627.db2.gz GRTRKCUUMBCIMR-UHFFFAOYSA-N 1 2 316.434 1.928 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c1O ZINC000880528191 707005095 /nfs/dbraw/zinc/00/50/95/707005095.db2.gz ZANSGUNCMAUFRU-IAQYHMDHSA-N 1 2 320.364 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c1O ZINC000880528191 707005098 /nfs/dbraw/zinc/00/50/98/707005098.db2.gz ZANSGUNCMAUFRU-IAQYHMDHSA-N 1 2 320.364 1.834 20 10 DDCDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3O)[C@H](C)C2)n[nH]1 ZINC000835072505 707167173 /nfs/dbraw/zinc/16/71/73/707167173.db2.gz BOZFWDPXZBDIGY-CYBMUJFWSA-N 1 2 314.389 1.770 20 10 DDCDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3O)[C@H](C)C2)n[nH]1 ZINC000835072505 707167175 /nfs/dbraw/zinc/16/71/75/707167175.db2.gz BOZFWDPXZBDIGY-CYBMUJFWSA-N 1 2 314.389 1.770 20 10 DDCDLO CO[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000895962489 711656660 /nfs/dbraw/zinc/65/66/60/711656660.db2.gz IUEXODGSMHFKAZ-KRWDZBQOSA-N 1 2 306.406 1.452 20 10 DDCDLO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000895962489 711656662 /nfs/dbraw/zinc/65/66/62/711656662.db2.gz IUEXODGSMHFKAZ-KRWDZBQOSA-N 1 2 306.406 1.452 20 10 DDCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2F)CC1)N1CCCC1 ZINC001137837735 751487942 /nfs/dbraw/zinc/48/79/42/751487942.db2.gz SFWCWPGYPBMHBI-UHFFFAOYSA-N 1 2 321.396 1.271 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461746 860638858 /nfs/dbraw/zinc/63/88/58/860638858.db2.gz SRLNTUZSTVQJMD-HNNXBMFYSA-N 1 2 324.808 1.869 20 10 DDCDLO CC[N@H+](CC(=O)NC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319689924 866221742 /nfs/dbraw/zinc/22/17/42/866221742.db2.gz AMCKKVKYINGTAE-UHFFFAOYSA-N 1 2 322.428 1.145 20 10 DDCDLO CC[N@@H+](CC(=O)NC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319689924 866221763 /nfs/dbraw/zinc/22/17/63/866221763.db2.gz AMCKKVKYINGTAE-UHFFFAOYSA-N 1 2 322.428 1.145 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276539148 873356645 /nfs/dbraw/zinc/35/66/45/873356645.db2.gz OUNOKUDGZDCNQJ-BETUJISGSA-N 1 2 307.369 1.908 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276539148 873356657 /nfs/dbraw/zinc/35/66/57/873356657.db2.gz OUNOKUDGZDCNQJ-BETUJISGSA-N 1 2 307.369 1.908 20 10 DDCDLO O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@@H]1CC[NH2+]1 ZINC001218921549 877808963 /nfs/dbraw/zinc/80/89/63/877808963.db2.gz WVFZHMPOJILVOZ-ZDUSSCGKSA-N 1 2 322.320 1.468 20 10 DDCDLO CCNC(=O)C[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232403176 886337588 /nfs/dbraw/zinc/33/75/88/886337588.db2.gz VYTVGOCDPPNDAP-UHFFFAOYSA-N 1 2 317.389 1.533 20 10 DDCDLO CCNC(=O)C[N@@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232403176 886337604 /nfs/dbraw/zinc/33/76/04/886337604.db2.gz VYTVGOCDPPNDAP-UHFFFAOYSA-N 1 2 317.389 1.533 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1Cl ZINC001236801179 889360303 /nfs/dbraw/zinc/36/03/03/889360303.db2.gz HBOIYMBXHUZPGZ-GHMZBOCLSA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1Cl ZINC001236801179 889360321 /nfs/dbraw/zinc/36/03/21/889360321.db2.gz HBOIYMBXHUZPGZ-GHMZBOCLSA-N 1 2 301.770 1.229 20 10 DDCDLO Cc1cccc(O)c1C[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001237492480 889668283 /nfs/dbraw/zinc/66/82/83/889668283.db2.gz RDXUZBQJGSDAKL-GFCCVEGCSA-N 1 2 313.394 1.659 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257070600 897713117 /nfs/dbraw/zinc/71/31/17/897713117.db2.gz OBQLEWOSNVLVHP-MJVIPROJSA-N 1 2 323.389 1.728 20 10 DDCDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278200178 284325138 /nfs/dbraw/zinc/32/51/38/284325138.db2.gz IWWIQSRWXXWPLS-GFCCVEGCSA-N 1 2 324.333 1.837 20 10 DDCDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278200178 284325141 /nfs/dbraw/zinc/32/51/41/284325141.db2.gz IWWIQSRWXXWPLS-GFCCVEGCSA-N 1 2 324.333 1.837 20 10 DDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000374825132 223680394 /nfs/dbraw/zinc/68/03/94/223680394.db2.gz XZNWJWPUHUWFKC-MASHWEEQSA-N 1 2 313.357 1.861 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000274087267 130203732 /nfs/dbraw/zinc/20/37/32/130203732.db2.gz HXEPRCOOMQEIKF-CYBMUJFWSA-N 1 2 314.426 1.901 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000274087267 130203733 /nfs/dbraw/zinc/20/37/33/130203733.db2.gz HXEPRCOOMQEIKF-CYBMUJFWSA-N 1 2 314.426 1.901 20 10 DDCDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(C)c(O)c1O)C2 ZINC000369736847 418736801 /nfs/dbraw/zinc/73/68/01/418736801.db2.gz DWYCHCMFHTUZLC-NSHDSACASA-N 1 2 301.346 1.656 20 10 DDCDLO CC[C@H](c1ccccc1O)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000368810371 281025355 /nfs/dbraw/zinc/02/53/55/281025355.db2.gz NMUPLBGSROUJJS-OAHLLOKOSA-N 1 2 314.389 1.926 20 10 DDCDLO CC[C@H](c1ccccc1O)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000368810371 281025357 /nfs/dbraw/zinc/02/53/57/281025357.db2.gz NMUPLBGSROUJJS-OAHLLOKOSA-N 1 2 314.389 1.926 20 10 DDCDLO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)n1 ZINC000362032388 294351324 /nfs/dbraw/zinc/35/13/24/294351324.db2.gz LQZBSEKQQDJJCX-GFCCVEGCSA-N 1 2 320.780 1.674 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000189381573 522870905 /nfs/dbraw/zinc/87/09/05/522870905.db2.gz WZVNZIPVJYPAIP-QMTHXVAHSA-N 1 2 311.353 1.970 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000189381573 522870914 /nfs/dbraw/zinc/87/09/14/522870914.db2.gz WZVNZIPVJYPAIP-QMTHXVAHSA-N 1 2 311.353 1.970 20 10 DDCDLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000179888298 527015175 /nfs/dbraw/zinc/01/51/75/527015175.db2.gz VRQCBTFJBCZMNY-OAHLLOKOSA-N 1 2 300.333 1.944 20 10 DDCDLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000179888298 527015178 /nfs/dbraw/zinc/01/51/78/527015178.db2.gz VRQCBTFJBCZMNY-OAHLLOKOSA-N 1 2 300.333 1.944 20 10 DDCDLO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708101429 699248458 /nfs/dbraw/zinc/24/84/58/699248458.db2.gz YWWNNRAXPBLAHR-SECBINFHSA-N 1 2 324.602 1.905 20 10 DDCDLO O=C1NCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708145038 699248755 /nfs/dbraw/zinc/24/87/55/699248755.db2.gz HFRQBVVLBJGJCB-VIFPVBQESA-N 1 2 319.586 1.786 20 10 DDCDLO O=C(Cn1cc[nH+]c1)NCc1ccc(N2CCOCC2)cc1 ZINC000742247277 699870277 /nfs/dbraw/zinc/87/02/77/699870277.db2.gz WPLTVIQEMKQURC-UHFFFAOYSA-N 1 2 300.362 1.036 20 10 DDCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CCOC1 ZINC000796012439 699906926 /nfs/dbraw/zinc/90/69/26/699906926.db2.gz YZMIPHYENYKCBG-MWLCHTKSSA-N 1 2 303.761 1.919 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000768141219 701160518 /nfs/dbraw/zinc/16/05/18/701160518.db2.gz SONULYRSIAOELL-UHFFFAOYSA-N 1 2 316.357 1.952 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CCCC3)C1)[C@@H](O)CO2 ZINC000768451314 701178522 /nfs/dbraw/zinc/17/85/22/701178522.db2.gz MOTOJWXSJLFDBZ-CJNGLKHVSA-N 1 2 304.390 1.488 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CC[C@@H](N3CCCC3)C1)[C@@H](O)CO2 ZINC000768451314 701178524 /nfs/dbraw/zinc/17/85/24/701178524.db2.gz MOTOJWXSJLFDBZ-CJNGLKHVSA-N 1 2 304.390 1.488 20 10 DDCDLO CN(C)c1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1F ZINC000769933454 701261281 /nfs/dbraw/zinc/26/12/81/701261281.db2.gz MAEDBLIZHCKYAD-UHFFFAOYSA-N 1 2 304.373 1.578 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000811502393 701994469 /nfs/dbraw/zinc/99/44/69/701994469.db2.gz SBXASISGDFOADW-OAHLLOKOSA-N 1 2 305.374 1.971 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000811502393 701994472 /nfs/dbraw/zinc/99/44/72/701994472.db2.gz SBXASISGDFOADW-OAHLLOKOSA-N 1 2 305.374 1.971 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434524 702881313 /nfs/dbraw/zinc/88/13/13/702881313.db2.gz ZHLVVKGKUAPFEU-UWVGGRQHSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843434524 702881315 /nfs/dbraw/zinc/88/13/15/702881315.db2.gz ZHLVVKGKUAPFEU-UWVGGRQHSA-N 1 2 317.744 1.541 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000858234565 704682997 /nfs/dbraw/zinc/68/29/97/704682997.db2.gz DROKUNGIPIABJQ-UHFFFAOYSA-N 1 2 321.421 1.611 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000858234565 704682999 /nfs/dbraw/zinc/68/29/99/704682999.db2.gz DROKUNGIPIABJQ-UHFFFAOYSA-N 1 2 321.421 1.611 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867302699 706952987 /nfs/dbraw/zinc/95/29/87/706952987.db2.gz SQAQKMKKFYJGNV-YWVDXFKGSA-N 1 2 320.389 1.033 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000859492463 704916731 /nfs/dbraw/zinc/91/67/31/704916731.db2.gz SMFGSQKZZCESDC-MRXNPFEDSA-N 1 2 320.437 1.273 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000859492463 704916734 /nfs/dbraw/zinc/91/67/34/704916734.db2.gz SMFGSQKZZCESDC-MRXNPFEDSA-N 1 2 320.437 1.273 20 10 DDCDLO CCOC(=O)C[N@H+](CCCNC(C)=O)Cc1ccccc1O ZINC000823576684 705270679 /nfs/dbraw/zinc/27/06/79/705270679.db2.gz VKYJPQCNUGDROS-UHFFFAOYSA-N 1 2 308.378 1.284 20 10 DDCDLO CCOC(=O)C[N@@H+](CCCNC(C)=O)Cc1ccccc1O ZINC000823576684 705270682 /nfs/dbraw/zinc/27/06/82/705270682.db2.gz VKYJPQCNUGDROS-UHFFFAOYSA-N 1 2 308.378 1.284 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H](CO)O1 ZINC000862338080 705698568 /nfs/dbraw/zinc/69/85/68/705698568.db2.gz IUSKXHRPGWZJTG-ZJUUUORDSA-N 1 2 316.195 1.736 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](CO)O1 ZINC000862338080 705698569 /nfs/dbraw/zinc/69/85/69/705698569.db2.gz IUSKXHRPGWZJTG-ZJUUUORDSA-N 1 2 316.195 1.736 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608701 706157882 /nfs/dbraw/zinc/15/78/82/706157882.db2.gz VCCSRCAOABPJJE-UWVGGRQHSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608701 706157886 /nfs/dbraw/zinc/15/78/86/706157886.db2.gz VCCSRCAOABPJJE-UWVGGRQHSA-N 1 2 301.289 1.026 20 10 DDCDLO CCOc1ccc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)c(O)c1 ZINC000877793347 706217232 /nfs/dbraw/zinc/21/72/32/706217232.db2.gz WMHVXPHWPKOWJB-OAQYLSRUSA-N 1 2 313.423 1.500 20 10 DDCDLO CN(C)c1ccc(CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C2CC2)cc1 ZINC000864785525 706262772 /nfs/dbraw/zinc/26/27/72/706262772.db2.gz FLHDGSKASXKTLI-INIZCTEOSA-N 1 2 314.389 1.700 20 10 DDCDLO C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000873227728 707777048 /nfs/dbraw/zinc/77/70/48/707777048.db2.gz LGWMKBOYBIRKEO-IINYFYTJSA-N 1 2 311.769 1.995 20 10 DDCDLO C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000873227728 707777055 /nfs/dbraw/zinc/77/70/55/707777055.db2.gz LGWMKBOYBIRKEO-IINYFYTJSA-N 1 2 311.769 1.995 20 10 DDCDLO Cc1nnc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)[nH]1 ZINC000895266873 711471901 /nfs/dbraw/zinc/47/19/01/711471901.db2.gz OMFGTVZRIYSNHB-UHFFFAOYSA-N 1 2 321.812 1.790 20 10 DDCDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2c(O)cccc2F)CCO1 ZINC000915827502 713432446 /nfs/dbraw/zinc/43/24/46/713432446.db2.gz IOJAZOPBKAWHKB-LLVKDONJSA-N 1 2 311.357 1.051 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC001183345854 743828125 /nfs/dbraw/zinc/82/81/25/743828125.db2.gz QCICDIANQYCDNG-NSHDSACASA-N 1 2 318.826 1.689 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC001183345854 743828129 /nfs/dbraw/zinc/82/81/29/743828129.db2.gz QCICDIANQYCDNG-NSHDSACASA-N 1 2 318.826 1.689 20 10 DDCDLO COc1cc(C(=O)NC2C[NH+](CC=C(C)C)C2)cc(OC)n1 ZINC001030614130 744327319 /nfs/dbraw/zinc/32/73/19/744327319.db2.gz CHIAFZLRAVXYDT-UHFFFAOYSA-N 1 2 305.378 1.479 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)C[C@@H]1O ZINC001144298990 772471630 /nfs/dbraw/zinc/47/16/30/772471630.db2.gz NZBOKCMXUGMAID-UFBFGSQYSA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)C[C@@H]1O ZINC001144298990 772471633 /nfs/dbraw/zinc/47/16/33/772471633.db2.gz NZBOKCMXUGMAID-UFBFGSQYSA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1O ZINC001235299954 846406566 /nfs/dbraw/zinc/40/65/66/846406566.db2.gz WIEWAWNLLIIMPG-GZMMTYOYSA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1O ZINC001235299954 846406570 /nfs/dbraw/zinc/40/65/70/846406570.db2.gz WIEWAWNLLIIMPG-GZMMTYOYSA-N 1 2 320.158 1.079 20 10 DDCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001273265460 849267120 /nfs/dbraw/zinc/26/71/20/849267120.db2.gz GFQWHBGAVMKKDO-LBPRGKRZSA-N 1 2 322.380 1.743 20 10 DDCDLO C[NH+](C)CCCN1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686437 860451631 /nfs/dbraw/zinc/45/16/31/860451631.db2.gz ZLVLSKXRNSRXLN-UHFFFAOYSA-N 1 2 313.392 1.740 20 10 DDCDLO CCO[C@@H]1C[C@H]2CN(Cc3c(O)cc(F)cc3F)CC[N@@H+]2C1 ZINC001140581562 860657403 /nfs/dbraw/zinc/65/74/03/860657403.db2.gz ZDMJYCFYAAGLBM-QWHCGFSZSA-N 1 2 312.360 1.965 20 10 DDCDLO CCO[C@@H]1C[C@H]2CN(Cc3c(O)cc(F)cc3F)CC[N@H+]2C1 ZINC001140581562 860657410 /nfs/dbraw/zinc/65/74/10/860657410.db2.gz ZDMJYCFYAAGLBM-QWHCGFSZSA-N 1 2 312.360 1.965 20 10 DDCDLO CCC(=O)N1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141031732 860768617 /nfs/dbraw/zinc/76/86/17/860768617.db2.gz JBPFZYFZIXPANK-UHFFFAOYSA-N 1 2 308.378 1.464 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC001331230854 864955731 /nfs/dbraw/zinc/95/57/31/864955731.db2.gz YAENJTRSEQYXAG-KGLIPLIRSA-N 1 2 314.389 1.848 20 10 DDCDLO NC(=O)c1cn(CCCC[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC001474577245 881219999 /nfs/dbraw/zinc/21/99/99/881219999.db2.gz KRMVTLSICZPQIA-UHFFFAOYSA-N 1 2 323.784 1.306 20 10 DDCDLO O=C(Nc1cn[nH]c1)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483760 885179562 /nfs/dbraw/zinc/17/95/62/885179562.db2.gz ASHLUWPDJOOYCZ-GFCCVEGCSA-N 1 2 316.336 1.715 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(OC)c(O)cc1O ZINC001231633418 885768874 /nfs/dbraw/zinc/76/88/74/885768874.db2.gz OAOXZHMNOOIFQN-MEDUHNTESA-N 1 2 307.346 1.634 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(OC)c(O)cc1O ZINC001231633418 885768881 /nfs/dbraw/zinc/76/88/81/885768881.db2.gz OAOXZHMNOOIFQN-MEDUHNTESA-N 1 2 307.346 1.634 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC(=O)N3CCC[C@H]3C2)cc1OC ZINC001236751536 889332898 /nfs/dbraw/zinc/33/28/98/889332898.db2.gz GUFYSJGIFLGALW-LBPRGKRZSA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)cc1OC ZINC001236751536 889332907 /nfs/dbraw/zinc/33/29/07/889332907.db2.gz GUFYSJGIFLGALW-LBPRGKRZSA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N(C)C3COC3)C2)c(Cl)c1 ZINC001236804356 889363912 /nfs/dbraw/zinc/36/39/12/889363912.db2.gz UKLCGXSZGGHWRU-UHFFFAOYSA-N 1 2 312.797 1.569 20 10 DDCDLO OC[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237077484 889494805 /nfs/dbraw/zinc/49/48/05/889494805.db2.gz IBZIIUWIYBUVMW-QPUJVOFHSA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237077484 889494811 /nfs/dbraw/zinc/49/48/11/889494811.db2.gz IBZIIUWIYBUVMW-QPUJVOFHSA-N 1 2 306.189 1.874 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237679698 889800241 /nfs/dbraw/zinc/80/02/41/889800241.db2.gz YITDUEVMOVLQNF-UHFFFAOYSA-N 1 2 324.377 1.684 20 10 DDCDLO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(F)c(F)c1O ZINC000295934608 296125306 /nfs/dbraw/zinc/12/53/06/296125306.db2.gz LBNUBVQAQKTURU-SNVBAGLBSA-N 1 2 300.349 1.778 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000297896220 132038961 /nfs/dbraw/zinc/03/89/61/132038961.db2.gz OLNIHXJHBDAFGZ-UONOGXRCSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000297896220 132038962 /nfs/dbraw/zinc/03/89/62/132038962.db2.gz OLNIHXJHBDAFGZ-UONOGXRCSA-N 1 2 305.422 1.478 20 10 DDCDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271198632 407571525 /nfs/dbraw/zinc/57/15/25/407571525.db2.gz SLUBCNCVVDZADZ-SNVBAGLBSA-N 1 2 315.391 1.376 20 10 DDCDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271198632 407571529 /nfs/dbraw/zinc/57/15/29/407571529.db2.gz SLUBCNCVVDZADZ-SNVBAGLBSA-N 1 2 315.391 1.376 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000281743809 408922430 /nfs/dbraw/zinc/92/24/30/408922430.db2.gz BMKISEGBIJAVHD-LLVKDONJSA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000281743809 408922432 /nfs/dbraw/zinc/92/24/32/408922432.db2.gz BMKISEGBIJAVHD-LLVKDONJSA-N 1 2 315.391 1.028 20 10 DDCDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000293017792 409048978 /nfs/dbraw/zinc/04/89/78/409048978.db2.gz CEJDXLBWEMABIG-AWEZNQCLSA-N 1 2 302.378 2.000 20 10 DDCDLO Cc1nnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000293017792 409048979 /nfs/dbraw/zinc/04/89/79/409048979.db2.gz CEJDXLBWEMABIG-AWEZNQCLSA-N 1 2 302.378 2.000 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282881476 409069583 /nfs/dbraw/zinc/06/95/83/409069583.db2.gz YQAXBVCUCDLZIO-NSHDSACASA-N 1 2 319.810 1.673 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282881476 409069585 /nfs/dbraw/zinc/06/95/85/409069585.db2.gz YQAXBVCUCDLZIO-NSHDSACASA-N 1 2 319.810 1.673 20 10 DDCDLO OCCOC1(C[NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000282835789 409065238 /nfs/dbraw/zinc/06/52/38/409065238.db2.gz VCMFCVBXQFPKNV-UHFFFAOYSA-N 1 2 315.797 1.693 20 10 DDCDLO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nncn1C ZINC000285302448 280327337 /nfs/dbraw/zinc/32/73/37/280327337.db2.gz HJOWCGVOJCBFFT-ZDUSSCGKSA-N 1 2 305.338 1.916 20 10 DDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000161008227 526474416 /nfs/dbraw/zinc/47/44/16/526474416.db2.gz VJACNYJHPZHSHF-HNNXBMFYSA-N 1 2 324.808 1.869 20 10 DDCDLO OCC[N@H+](CCN1CCOCC1)Cc1cccc(Cl)c1O ZINC000775658275 698019992 /nfs/dbraw/zinc/01/99/92/698019992.db2.gz MZMIHLHLQBYGER-UHFFFAOYSA-N 1 2 314.813 1.172 20 10 DDCDLO OCC[N@@H+](CCN1CCOCC1)Cc1cccc(Cl)c1O ZINC000775658275 698019994 /nfs/dbraw/zinc/01/99/94/698019994.db2.gz MZMIHLHLQBYGER-UHFFFAOYSA-N 1 2 314.813 1.172 20 10 DDCDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000785733478 699096641 /nfs/dbraw/zinc/09/66/41/699096641.db2.gz PETGMQAAMJFZLD-GHMZBOCLSA-N 1 2 307.346 1.697 20 10 DDCDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1cc(Br)ccc1O ZINC000787032829 699186482 /nfs/dbraw/zinc/18/64/82/699186482.db2.gz RYUGDNJLWNHEJT-ZETCQYMHSA-N 1 2 312.171 1.529 20 10 DDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715720360 699276898 /nfs/dbraw/zinc/27/68/98/699276898.db2.gz XESNCVXTUUEXEV-SSDOTTSWSA-N 1 2 317.158 1.601 20 10 DDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715720360 699276899 /nfs/dbraw/zinc/27/68/99/699276899.db2.gz XESNCVXTUUEXEV-SSDOTTSWSA-N 1 2 317.158 1.601 20 10 DDCDLO Cc1nc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OC[C@H]3O)no1 ZINC000768451065 701178342 /nfs/dbraw/zinc/17/83/42/701178342.db2.gz LQUBVCHUVQIFLW-GFCCVEGCSA-N 1 2 305.334 1.534 20 10 DDCDLO COc1cccc(O)c1C[N@H+](CCS(C)(=O)=O)C(C)C ZINC000769502047 701247569 /nfs/dbraw/zinc/24/75/69/701247569.db2.gz SNEVEKBIJHJFLQ-UHFFFAOYSA-N 1 2 301.408 1.656 20 10 DDCDLO COc1cccc(O)c1C[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000769502047 701247571 /nfs/dbraw/zinc/24/75/71/701247571.db2.gz SNEVEKBIJHJFLQ-UHFFFAOYSA-N 1 2 301.408 1.656 20 10 DDCDLO CN(CCC[NH2+]Cc1cc(Cl)c(F)cc1O)S(C)(=O)=O ZINC000816535285 702109172 /nfs/dbraw/zinc/10/91/72/702109172.db2.gz LEQQFKQELXCBIE-UHFFFAOYSA-N 1 2 324.805 1.556 20 10 DDCDLO Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c(O)c1O ZINC000840567979 702157126 /nfs/dbraw/zinc/15/71/26/702157126.db2.gz GTEISTXJQXVWQS-UHFFFAOYSA-N 1 2 322.405 1.589 20 10 DDCDLO COc1ccc(N2CC[NH+](CC3OCCO3)CC2)c(OC)c1 ZINC000879463516 706686589 /nfs/dbraw/zinc/68/65/89/706686589.db2.gz ZGCPGGCOIXKDQR-UHFFFAOYSA-N 1 2 308.378 1.199 20 10 DDCDLO CCCCOc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819420132 704123082 /nfs/dbraw/zinc/12/30/82/704123082.db2.gz OVRSUOZMKVUSEG-HNNXBMFYSA-N 1 2 308.422 1.971 20 10 DDCDLO Cc1ccc(C[NH+]2CC(S(=O)(=O)NC3CCCC3)C2)c(O)c1 ZINC000877190624 706011898 /nfs/dbraw/zinc/01/18/98/706011898.db2.gz MWTZVYNQDUEQTP-UHFFFAOYSA-N 1 2 324.446 1.747 20 10 DDCDLO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](C)C1 ZINC000877489821 706121232 /nfs/dbraw/zinc/12/12/32/706121232.db2.gz WLGQXMRGOYPNFW-GHMZBOCLSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](C)C1 ZINC000877489821 706121233 /nfs/dbraw/zinc/12/12/33/706121233.db2.gz WLGQXMRGOYPNFW-GHMZBOCLSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1C ZINC000877501600 706124734 /nfs/dbraw/zinc/12/47/34/706124734.db2.gz ROMPTFPOUDSFGN-CQSZACIVSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1C ZINC000877501600 706124737 /nfs/dbraw/zinc/12/47/37/706124737.db2.gz ROMPTFPOUDSFGN-CQSZACIVSA-N 1 2 317.433 1.310 20 10 DDCDLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000897063417 708221182 /nfs/dbraw/zinc/22/11/82/708221182.db2.gz VGAZLYOVISAPNQ-VIFPVBQESA-N 1 2 304.799 1.156 20 10 DDCDLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000897063417 708221184 /nfs/dbraw/zinc/22/11/84/708221184.db2.gz VGAZLYOVISAPNQ-VIFPVBQESA-N 1 2 304.799 1.156 20 10 DDCDLO COc1cc(O)c(C[NH2+]C2(c3nc(C)no3)CC2)cc1OC ZINC000897898031 708486223 /nfs/dbraw/zinc/48/62/23/708486223.db2.gz VEDAWSJMXKKOGA-UHFFFAOYSA-N 1 2 305.334 1.880 20 10 DDCDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894468243 711137844 /nfs/dbraw/zinc/13/78/44/711137844.db2.gz RROXKYOMDNSNCM-GFCCVEGCSA-N 1 2 311.332 1.706 20 10 DDCDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894468243 711137845 /nfs/dbraw/zinc/13/78/45/711137845.db2.gz RROXKYOMDNSNCM-GFCCVEGCSA-N 1 2 311.332 1.706 20 10 DDCDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895332379 711487412 /nfs/dbraw/zinc/48/74/12/711487412.db2.gz KDUCBMNYIQECLG-LBPRGKRZSA-N 1 2 313.348 1.858 20 10 DDCDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895332379 711487414 /nfs/dbraw/zinc/48/74/14/711487414.db2.gz KDUCBMNYIQECLG-LBPRGKRZSA-N 1 2 313.348 1.858 20 10 DDCDLO Oc1cccc(F)c1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000895832951 711619913 /nfs/dbraw/zinc/61/99/13/711619913.db2.gz RKRPFZFYNXVNCY-UHFFFAOYSA-N 1 2 304.325 1.770 20 10 DDCDLO Oc1cccc(F)c1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000895832951 711619914 /nfs/dbraw/zinc/61/99/14/711619914.db2.gz RKRPFZFYNXVNCY-UHFFFAOYSA-N 1 2 304.325 1.770 20 10 DDCDLO COc1ccc2c(c1)CCCC[N@H+]2CC1CN(S(C)(=O)=O)C1 ZINC000930142057 713766217 /nfs/dbraw/zinc/76/62/17/713766217.db2.gz HAOAWEDEGVOVAZ-UHFFFAOYSA-N 1 2 324.446 1.729 20 10 DDCDLO COc1ccc2c(c1)CCCC[N@@H+]2CC1CN(S(C)(=O)=O)C1 ZINC000930142057 713766218 /nfs/dbraw/zinc/76/62/18/713766218.db2.gz HAOAWEDEGVOVAZ-UHFFFAOYSA-N 1 2 324.446 1.729 20 10 DDCDLO CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001183683357 743883404 /nfs/dbraw/zinc/88/34/04/743883404.db2.gz CAGQLGHSBNSKHX-SECBINFHSA-N 1 2 320.361 1.042 20 10 DDCDLO CS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001183683357 743883407 /nfs/dbraw/zinc/88/34/07/743883407.db2.gz CAGQLGHSBNSKHX-SECBINFHSA-N 1 2 320.361 1.042 20 10 DDCDLO COc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(O)c1O ZINC001193098000 745976888 /nfs/dbraw/zinc/97/68/88/745976888.db2.gz OWNJCKNIYZCJJR-UHFFFAOYSA-N 1 2 317.345 1.849 20 10 DDCDLO COc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(O)c1O ZINC001193098000 745976891 /nfs/dbraw/zinc/97/68/91/745976891.db2.gz OWNJCKNIYZCJJR-UHFFFAOYSA-N 1 2 317.345 1.849 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878058 747170873 /nfs/dbraw/zinc/17/08/73/747170873.db2.gz PIASNPUYFYHZQW-ZDUSSCGKSA-N 1 2 303.362 1.577 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878058 747170876 /nfs/dbraw/zinc/17/08/76/747170876.db2.gz PIASNPUYFYHZQW-ZDUSSCGKSA-N 1 2 303.362 1.577 20 10 DDCDLO CN(C)c1ccc(C=CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001180129677 779616108 /nfs/dbraw/zinc/61/61/08/779616108.db2.gz BWBMCFFDLSFZAQ-SBJJXXPASA-N 1 2 314.389 1.209 20 10 DDCDLO CN(C)c1ccc(C=CC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001180129677 779616111 /nfs/dbraw/zinc/61/61/11/779616111.db2.gz BWBMCFFDLSFZAQ-SBJJXXPASA-N 1 2 314.389 1.209 20 10 DDCDLO CC(C)c1ccc(C[NH+]2CC3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001274779555 852597186 /nfs/dbraw/zinc/59/71/86/852597186.db2.gz JMHXJABWGUKFFS-UHFFFAOYSA-N 1 2 304.390 1.559 20 10 DDCDLO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001275306378 852969028 /nfs/dbraw/zinc/96/90/28/852969028.db2.gz FORPQDCREWJREE-BETUJISGSA-N 1 2 311.376 1.491 20 10 DDCDLO CCOC(=O)CN1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142508864 861167863 /nfs/dbraw/zinc/16/78/63/861167863.db2.gz OITRXQMPKVDHNU-UHFFFAOYSA-N 1 2 314.332 1.351 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@H](N)C3)cc2)CC1 ZINC001206668834 865172504 /nfs/dbraw/zinc/17/25/04/865172504.db2.gz VTIJWKJYMQBWAU-MRXNPFEDSA-N 1 2 324.419 1.607 20 10 DDCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccccc1O ZINC001203555569 870638553 /nfs/dbraw/zinc/63/85/53/870638553.db2.gz DOOYDZBDXXLOHK-UHFFFAOYSA-N 1 2 309.362 1.711 20 10 DDCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccccc1O ZINC001203555569 870638563 /nfs/dbraw/zinc/63/85/63/870638563.db2.gz DOOYDZBDXXLOHK-UHFFFAOYSA-N 1 2 309.362 1.711 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(OC)c1O ZINC001203596531 870658050 /nfs/dbraw/zinc/65/80/50/870658050.db2.gz HOZLRVPKDDIJRC-ZSOGYDGISA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(OC)c1O ZINC001203596531 870658055 /nfs/dbraw/zinc/65/80/55/870658055.db2.gz HOZLRVPKDDIJRC-ZSOGYDGISA-N 1 2 321.373 1.553 20 10 DDCDLO Nc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC001343568214 872674071 /nfs/dbraw/zinc/67/40/71/872674071.db2.gz XSCIWMRGRJRRRW-INIZCTEOSA-N 1 2 303.406 1.528 20 10 DDCDLO Nc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC001343568214 872674079 /nfs/dbraw/zinc/67/40/79/872674079.db2.gz XSCIWMRGRJRRRW-INIZCTEOSA-N 1 2 303.406 1.528 20 10 DDCDLO Oc1ccc(F)c(F)c1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222684643 880651792 /nfs/dbraw/zinc/65/17/92/880651792.db2.gz KFCRXIOAHVRFMT-MRXNPFEDSA-N 1 2 311.376 1.588 20 10 DDCDLO C[C@H]1C[NH+](C2CN(Cc3cc(O)c(O)c(O)c3)C2)C[C@H](C)O1 ZINC001233016164 886730802 /nfs/dbraw/zinc/73/08/02/886730802.db2.gz ONWXFPWVXPAJQK-QWRGUYRKSA-N 1 2 308.378 1.097 20 10 DDCDLO COc1cc(C[NH+]2CC(CO)C2)c(O)cc1Br ZINC001236754233 889330803 /nfs/dbraw/zinc/33/08/03/889330803.db2.gz SNDZHDCRMFCCDT-UHFFFAOYSA-N 1 2 302.168 1.587 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1Cl ZINC001236801653 889363700 /nfs/dbraw/zinc/36/37/00/889363700.db2.gz KPBAHQAFEZAUAY-SWLSCSKDSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1Cl ZINC001236801653 889363713 /nfs/dbraw/zinc/36/37/13/889363713.db2.gz KPBAHQAFEZAUAY-SWLSCSKDSA-N 1 2 315.797 1.619 20 10 DDCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)no1 ZINC000290959040 131531030 /nfs/dbraw/zinc/53/10/30/131531030.db2.gz RJWSUQUEZFRYGT-VIFPVBQESA-N 1 2 321.333 1.891 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1F ZINC000084866587 407095012 /nfs/dbraw/zinc/09/50/12/407095012.db2.gz DVJIAUBKQYMURG-CQSZACIVSA-N 1 2 307.369 1.187 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050154547 407129029 /nfs/dbraw/zinc/12/90/29/407129029.db2.gz QSZCGERIVVQDRB-CYBMUJFWSA-N 1 2 310.781 1.959 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050154547 407129032 /nfs/dbraw/zinc/12/90/32/407129032.db2.gz QSZCGERIVVQDRB-CYBMUJFWSA-N 1 2 310.781 1.959 20 10 DDCDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC000186779500 407769781 /nfs/dbraw/zinc/76/97/81/407769781.db2.gz OIXUXIAOPPUSJZ-UHFFFAOYSA-N 1 2 305.359 1.795 20 10 DDCDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC000186779500 407769787 /nfs/dbraw/zinc/76/97/87/407769787.db2.gz OIXUXIAOPPUSJZ-UHFFFAOYSA-N 1 2 305.359 1.795 20 10 DDCDLO COc1cccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1O ZINC000153999253 407949721 /nfs/dbraw/zinc/94/97/21/407949721.db2.gz LYVRJZLKIGYEOD-LLVKDONJSA-N 1 2 301.346 1.476 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c1O ZINC000276293229 408831081 /nfs/dbraw/zinc/83/10/81/408831081.db2.gz UAELMJAMTAVYSX-JSGCOSHPSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c1O ZINC000276293229 408831084 /nfs/dbraw/zinc/83/10/84/408831084.db2.gz UAELMJAMTAVYSX-JSGCOSHPSA-N 1 2 309.362 1.289 20 10 DDCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282253574 409019019 /nfs/dbraw/zinc/01/90/19/409019019.db2.gz BIPDWKDDSJEFPR-LBPRGKRZSA-N 1 2 303.811 1.973 20 10 DDCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282253574 409019024 /nfs/dbraw/zinc/01/90/24/409019024.db2.gz BIPDWKDDSJEFPR-LBPRGKRZSA-N 1 2 303.811 1.973 20 10 DDCDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278302612 409079203 /nfs/dbraw/zinc/07/92/03/409079203.db2.gz DCFRQTGXAWQYIO-GFCCVEGCSA-N 1 2 324.333 1.837 20 10 DDCDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278302612 409079204 /nfs/dbraw/zinc/07/92/04/409079204.db2.gz DCFRQTGXAWQYIO-GFCCVEGCSA-N 1 2 324.333 1.837 20 10 DDCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)nc1 ZINC000283219552 409114162 /nfs/dbraw/zinc/11/41/62/409114162.db2.gz SGOOLODDBPOUQW-GORDUTHDSA-N 1 2 313.361 1.318 20 10 DDCDLO CN(C)c1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1 ZINC000301707462 410777878 /nfs/dbraw/zinc/77/78/78/410777878.db2.gz WEDCDTLFNSKIQP-UHFFFAOYSA-N 1 2 309.377 1.923 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c(O)c1O ZINC000374377177 418524137 /nfs/dbraw/zinc/52/41/37/418524137.db2.gz ZMHFLYNYFZLHPP-AWEZNQCLSA-N 1 2 313.357 1.588 20 10 DDCDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189761817 222055528 /nfs/dbraw/zinc/05/55/28/222055528.db2.gz OGMLTKJZCCWMMT-LBPRGKRZSA-N 1 2 306.362 1.467 20 10 DDCDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189761817 222055531 /nfs/dbraw/zinc/05/55/31/222055531.db2.gz OGMLTKJZCCWMMT-LBPRGKRZSA-N 1 2 306.362 1.467 20 10 DDCDLO CCOc1cccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)c1O ZINC000378342342 418721127 /nfs/dbraw/zinc/72/11/27/418721127.db2.gz OKFNWYOLGWDXGV-QWHCGFSZSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1cccc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)c1O ZINC000378342342 418721130 /nfs/dbraw/zinc/72/11/30/418721130.db2.gz OKFNWYOLGWDXGV-QWHCGFSZSA-N 1 2 309.362 1.553 20 10 DDCDLO CN1CCc2cc(CNc3[nH+]cnc(-n4cccn4)c3N)ccc21 ZINC000376333904 418696401 /nfs/dbraw/zinc/69/64/01/418696401.db2.gz OFDUSESXXUYSBA-UHFFFAOYSA-N 1 2 321.388 1.849 20 10 DDCDLO COc1c(O)c(C[N@H+](C)[C@H]2CCCCNC2=O)ccc1[N+](=O)[O-] ZINC000369321615 418731729 /nfs/dbraw/zinc/73/17/29/418731729.db2.gz KVJOEGVJYKOLDH-LBPRGKRZSA-N 1 2 323.349 1.410 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)[C@H]2CCCCNC2=O)ccc1[N+](=O)[O-] ZINC000369321615 418731732 /nfs/dbraw/zinc/73/17/32/418731732.db2.gz KVJOEGVJYKOLDH-LBPRGKRZSA-N 1 2 323.349 1.410 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000365113751 527103841 /nfs/dbraw/zinc/10/38/41/527103841.db2.gz WRRPFIDVVCOAPL-JTQLQIEISA-N 1 2 322.752 1.865 20 10 DDCDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000365113751 527103847 /nfs/dbraw/zinc/10/38/47/527103847.db2.gz WRRPFIDVVCOAPL-JTQLQIEISA-N 1 2 322.752 1.865 20 10 DDCDLO CN(C)C(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715760714 699276641 /nfs/dbraw/zinc/27/66/41/699276641.db2.gz QHGQIKHOCCYVPR-UHFFFAOYSA-N 1 2 305.147 1.472 20 10 DDCDLO C[C@@H](O)C[NH+]1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167152 699679658 /nfs/dbraw/zinc/67/96/58/699679658.db2.gz BSPJXFTVWAECBO-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO COc1cc(O)c(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1OC ZINC000792191911 699681921 /nfs/dbraw/zinc/68/19/21/699681921.db2.gz FDYNKHQJSOVIEA-GHMZBOCLSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC000793689175 699772339 /nfs/dbraw/zinc/77/23/39/699772339.db2.gz LANSVWJDZAUGBF-LLVKDONJSA-N 1 2 303.362 1.944 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000846442576 703277063 /nfs/dbraw/zinc/27/70/63/703277063.db2.gz TVIDJDXFMJUAHN-UHFFFAOYSA-N 1 2 316.405 1.864 20 10 DDCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850361930 703727166 /nfs/dbraw/zinc/72/71/66/703727166.db2.gz XSWQLIHKPACEDR-MWLCHTKSSA-N 1 2 323.773 1.086 20 10 DDCDLO C[C@]1(C(F)F)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853634873 704290887 /nfs/dbraw/zinc/29/08/87/704290887.db2.gz QVKCRJOTWBNCID-SWLSCSKDSA-N 1 2 315.316 1.674 20 10 DDCDLO C[C@]1(C(F)F)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853634873 704290890 /nfs/dbraw/zinc/29/08/90/704290890.db2.gz QVKCRJOTWBNCID-SWLSCSKDSA-N 1 2 315.316 1.674 20 10 DDCDLO C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)cc(F)c1O ZINC000825337596 705648665 /nfs/dbraw/zinc/64/86/65/705648665.db2.gz HEJRMGJTYNCMJR-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)cc(F)c1O ZINC000825337596 705648668 /nfs/dbraw/zinc/64/86/68/705648668.db2.gz HEJRMGJTYNCMJR-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO OC1CCN(c2ccc(C[N@@H+]3CCn4cncc4C3)cc2)CC1 ZINC000877538649 706136559 /nfs/dbraw/zinc/13/65/59/706136559.db2.gz AGZQLSKKBFDSQW-UHFFFAOYSA-N 1 2 312.417 1.860 20 10 DDCDLO OC1CCN(c2ccc(C[N@H+]3CCn4cncc4C3)cc2)CC1 ZINC000877538649 706136562 /nfs/dbraw/zinc/13/65/62/706136562.db2.gz AGZQLSKKBFDSQW-UHFFFAOYSA-N 1 2 312.417 1.860 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000877703975 706182773 /nfs/dbraw/zinc/18/27/73/706182773.db2.gz HFJUNCDXPJDLCB-KRWDZBQOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000877703975 706182776 /nfs/dbraw/zinc/18/27/76/706182776.db2.gz HFJUNCDXPJDLCB-KRWDZBQOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877704571 706183110 /nfs/dbraw/zinc/18/31/10/706183110.db2.gz RCPQXHMNWKVIPE-INIZCTEOSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877704571 706183111 /nfs/dbraw/zinc/18/31/11/706183111.db2.gz RCPQXHMNWKVIPE-INIZCTEOSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(C[NH+]2CCN([S@](C)(=N)=O)CC2)c(O)c1 ZINC000877793345 706217163 /nfs/dbraw/zinc/21/71/63/706217163.db2.gz WMHVXPHWPKOWJB-NRFANRHFSA-N 1 2 313.423 1.500 20 10 DDCDLO CCC[N@H+](Cc1nnc2c(=O)[nH]ccn12)Cc1ccccc1O ZINC000878150818 706307216 /nfs/dbraw/zinc/30/72/16/706307216.db2.gz IQOXGXUITWJEMI-UHFFFAOYSA-N 1 2 313.361 1.535 20 10 DDCDLO CCC[N@@H+](Cc1nnc2c(=O)[nH]ccn12)Cc1ccccc1O ZINC000878150818 706307218 /nfs/dbraw/zinc/30/72/18/706307218.db2.gz IQOXGXUITWJEMI-UHFFFAOYSA-N 1 2 313.361 1.535 20 10 DDCDLO O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)nc[nH]1 ZINC000898150178 708557178 /nfs/dbraw/zinc/55/71/78/708557178.db2.gz PZJUKELWKLGNOT-LLVKDONJSA-N 1 2 322.315 1.535 20 10 DDCDLO C[C@@H]([NH2+][C@@H]1CNOC1)c1cc(Br)cc(F)c1O ZINC000925862166 714953586 /nfs/dbraw/zinc/95/35/86/714953586.db2.gz MTRUPFUJLMKGBE-HTRCEHHLSA-N 1 2 305.147 1.848 20 10 DDCDLO COc1cc(C(=O)NC2C[NH+](CC[C@H](C)F)C2)cc(OC)n1 ZINC001030614633 744328523 /nfs/dbraw/zinc/32/85/23/744328523.db2.gz NFJMYHOMUWTFBO-JTQLQIEISA-N 1 2 311.357 1.261 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001269918148 842156354 /nfs/dbraw/zinc/15/63/54/842156354.db2.gz VVVNDEIVCXVPPB-UHFFFAOYSA-N 1 2 303.362 1.336 20 10 DDCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272619630 846419004 /nfs/dbraw/zinc/41/90/04/846419004.db2.gz XGQWSCUWWUUTSU-CYBMUJFWSA-N 1 2 304.390 1.604 20 10 DDCDLO CCCCN1CC2(C[NH+](Cc3cc(C)ccc3O)C2)OCC1=O ZINC001272622285 846421925 /nfs/dbraw/zinc/42/19/25/846421925.db2.gz CATPCHXQBBGAKD-UHFFFAOYSA-N 1 2 318.417 1.914 20 10 DDCDLO COc1ccc(N2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)c(OC)c1 ZINC001276994485 881524003 /nfs/dbraw/zinc/52/40/03/881524003.db2.gz PBHLBBPHHUHIIH-UHFFFAOYSA-N 1 2 314.389 1.892 20 10 DDCDLO COc1ccc(N2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)c(OC)c1 ZINC001276994485 881524012 /nfs/dbraw/zinc/52/40/12/881524012.db2.gz PBHLBBPHHUHIIH-UHFFFAOYSA-N 1 2 314.389 1.892 20 10 DDCDLO Oc1c(F)ccc(F)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001139689233 860453183 /nfs/dbraw/zinc/45/31/83/860453183.db2.gz GNIHEKWFURFSJV-LBPRGKRZSA-N 1 2 312.360 1.967 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCn3nncc3C2)c(O)c1 ZINC001140856320 860713853 /nfs/dbraw/zinc/71/38/53/860713853.db2.gz XMNACOWVNORSJY-UHFFFAOYSA-N 1 2 301.394 1.846 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCn3nncc3C2)c(O)c1 ZINC001140856320 860713859 /nfs/dbraw/zinc/71/38/59/860713859.db2.gz XMNACOWVNORSJY-UHFFFAOYSA-N 1 2 301.394 1.846 20 10 DDCDLO COC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141138926 860794049 /nfs/dbraw/zinc/79/40/49/860794049.db2.gz DQMHOGKMAWKTQG-UHFFFAOYSA-N 1 2 305.378 1.399 20 10 DDCDLO Cc1nc(N(C)C)nc(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001157245772 863678387 /nfs/dbraw/zinc/67/83/87/863678387.db2.gz MSDXIBWFTLFINX-UHFFFAOYSA-N 1 2 305.338 1.017 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@H](CO)c2cnn(C)c2)cc1F ZINC001331505397 865122171 /nfs/dbraw/zinc/12/21/71/865122171.db2.gz SXTNKRULSPUHHO-CQSZACIVSA-N 1 2 310.348 1.588 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320990164 867184611 /nfs/dbraw/zinc/18/46/11/867184611.db2.gz YBYHHKQODWXPQQ-HOTGVXAUSA-N 1 2 304.390 1.395 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320990164 867184617 /nfs/dbraw/zinc/18/46/17/867184617.db2.gz YBYHHKQODWXPQQ-HOTGVXAUSA-N 1 2 304.390 1.395 20 10 DDCDLO COCCCNC(=O)C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001205107936 871366585 /nfs/dbraw/zinc/36/65/85/871366585.db2.gz MGVQASUSMBQNEB-UHFFFAOYSA-N 1 2 302.321 1.255 20 10 DDCDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001205107936 871366602 /nfs/dbraw/zinc/36/66/02/871366602.db2.gz MGVQASUSMBQNEB-UHFFFAOYSA-N 1 2 302.321 1.255 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(C)C3CC3)CC2)cc1 ZINC001319382309 872603724 /nfs/dbraw/zinc/60/37/24/872603724.db2.gz YGCOYZGDCXBKRF-UHFFFAOYSA-N 1 2 317.433 1.828 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(C)(CO)C2)cc1Br ZINC001233135579 886810254 /nfs/dbraw/zinc/81/02/54/886810254.db2.gz VOWKTUVBIOJSQI-UHFFFAOYSA-N 1 2 316.195 1.978 20 10 DDCDLO COC(=O)C1C[NH+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118627 889509868 /nfs/dbraw/zinc/50/98/68/889509868.db2.gz ZLBWRWZHXBMONJ-UHFFFAOYSA-N 1 2 305.252 1.896 20 10 DDCDLO NC(=O)NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237804420 889853790 /nfs/dbraw/zinc/85/37/90/889853790.db2.gz DDRUBKYNQSLXPT-UHFFFAOYSA-N 1 2 301.749 1.817 20 10 DDCDLO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)cc(O)c1O ZINC001278235773 890228048 /nfs/dbraw/zinc/22/80/48/890228048.db2.gz OYUITEFGUUUSFC-BZNIZROVSA-N 1 2 306.362 1.159 20 10 DDCDLO COc1cc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)cc(O)c1O ZINC001278235773 890228066 /nfs/dbraw/zinc/22/80/66/890228066.db2.gz OYUITEFGUUUSFC-BZNIZROVSA-N 1 2 306.362 1.159 20 10 DDCDLO CC[C@@]1(C(=O)OC)C[C@@H](N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC001246901586 892979527 /nfs/dbraw/zinc/97/95/27/892979527.db2.gz OJPMELIMXTUNGO-AEFFLSMTSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000273390294 130116045 /nfs/dbraw/zinc/11/60/45/130116045.db2.gz KLLXHHUFCOOEPS-VIFPVBQESA-N 1 2 303.322 1.689 20 10 DDCDLO Cn1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000289346392 131376628 /nfs/dbraw/zinc/37/66/28/131376628.db2.gz KDZARUNVIIIXBF-HNNXBMFYSA-N 1 2 302.378 1.702 20 10 DDCDLO Cn1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000289346392 131376629 /nfs/dbraw/zinc/37/66/29/131376629.db2.gz KDZARUNVIIIXBF-HNNXBMFYSA-N 1 2 302.378 1.702 20 10 DDCDLO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1O ZINC000187910058 407903009 /nfs/dbraw/zinc/90/30/09/407903009.db2.gz HZFAMZJRKYTWBJ-QMMMGPOBSA-N 1 2 310.304 1.474 20 10 DDCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)no1 ZINC000290959029 408855531 /nfs/dbraw/zinc/85/55/31/408855531.db2.gz RJWSUQUEZFRYGT-SECBINFHSA-N 1 2 321.333 1.891 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511603 409293167 /nfs/dbraw/zinc/29/31/67/409293167.db2.gz ISUYJFODNUAEEL-HOTGVXAUSA-N 1 2 306.406 1.559 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511603 409293171 /nfs/dbraw/zinc/29/31/71/409293171.db2.gz ISUYJFODNUAEEL-HOTGVXAUSA-N 1 2 306.406 1.559 20 10 DDCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cccc(O)c1O ZINC000373570110 418441204 /nfs/dbraw/zinc/44/12/04/418441204.db2.gz XZSZCVJBIQTUHY-UHFFFAOYSA-N 1 2 301.346 1.603 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1 ZINC000374794445 418562817 /nfs/dbraw/zinc/56/28/17/418562817.db2.gz AOEKJEXNAFNWHD-LLVKDONJSA-N 1 2 318.377 1.493 20 10 DDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000371426189 418790990 /nfs/dbraw/zinc/79/09/90/418790990.db2.gz OYCMDVDAQZLECF-INIZCTEOSA-N 1 2 305.422 1.432 20 10 DDCDLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000371426189 418790992 /nfs/dbraw/zinc/79/09/92/418790992.db2.gz OYCMDVDAQZLECF-INIZCTEOSA-N 1 2 305.422 1.432 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000371529775 418797146 /nfs/dbraw/zinc/79/71/46/418797146.db2.gz VBHKKWFNMRHYDL-KBPBESRZSA-N 1 2 309.362 1.553 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(OC)ccc1O ZINC000371529775 418797148 /nfs/dbraw/zinc/79/71/48/418797148.db2.gz VBHKKWFNMRHYDL-KBPBESRZSA-N 1 2 309.362 1.553 20 10 DDCDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)NC1CC1 ZINC000120755329 696700334 /nfs/dbraw/zinc/70/03/34/696700334.db2.gz NNLCJOCEMAXLQC-UHFFFAOYSA-N 1 2 323.824 1.442 20 10 DDCDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cccc(Cl)c1O ZINC000775735812 698027743 /nfs/dbraw/zinc/02/77/43/698027743.db2.gz YGGZXOVWFZLAHH-UHFFFAOYSA-N 1 2 318.826 1.513 20 10 DDCDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cccc(Cl)c1O ZINC000775735812 698027748 /nfs/dbraw/zinc/02/77/48/698027748.db2.gz YGGZXOVWFZLAHH-UHFFFAOYSA-N 1 2 318.826 1.513 20 10 DDCDLO CN(CCC[NH2+]Cc1cc(Cl)cc(F)c1O)S(C)(=O)=O ZINC000775981731 698058245 /nfs/dbraw/zinc/05/82/45/698058245.db2.gz KMJYRSSIUVTOMZ-UHFFFAOYSA-N 1 2 324.805 1.556 20 10 DDCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000708399224 699249938 /nfs/dbraw/zinc/24/99/38/699249938.db2.gz JPKMQVKGSPLYRP-NSHDSACASA-N 1 2 305.346 1.679 20 10 DDCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000708399224 699249940 /nfs/dbraw/zinc/24/99/40/699249940.db2.gz JPKMQVKGSPLYRP-NSHDSACASA-N 1 2 305.346 1.679 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1COCCO1 ZINC000715745930 699276581 /nfs/dbraw/zinc/27/65/81/699276581.db2.gz SAWPYERXKMMUMK-JTQLQIEISA-N 1 2 320.158 1.799 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000802660069 700416494 /nfs/dbraw/zinc/41/64/94/700416494.db2.gz ABRJEKZEEYVHRD-CYBMUJFWSA-N 1 2 300.286 1.215 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000802660069 700416496 /nfs/dbraw/zinc/41/64/96/700416496.db2.gz ABRJEKZEEYVHRD-CYBMUJFWSA-N 1 2 300.286 1.215 20 10 DDCDLO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756683560 700635197 /nfs/dbraw/zinc/63/51/97/700635197.db2.gz RTTRDRFCAJOXJK-SECBINFHSA-N 1 2 322.377 1.649 20 10 DDCDLO CC(C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768437948 701176893 /nfs/dbraw/zinc/17/68/93/701176893.db2.gz KLTUQGCEZPPFIA-HNNXBMFYSA-N 1 2 320.389 1.118 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC000844132395 702975687 /nfs/dbraw/zinc/97/56/87/702975687.db2.gz FXWKZVDKRFOMLA-CYBMUJFWSA-N 1 2 316.380 1.967 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1 ZINC000846845536 703341472 /nfs/dbraw/zinc/34/14/72/703341472.db2.gz YAUAIBZYNYQESO-SNVBAGLBSA-N 1 2 305.382 1.993 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000831925039 706804491 /nfs/dbraw/zinc/80/44/91/706804491.db2.gz RLFBYVOQQJARNH-YPMHNXCESA-N 1 2 315.373 1.604 20 10 DDCDLO CCOC(=O)C[N@H+](CCC(=O)N(C)CC)Cc1ccccc1O ZINC000823581785 705272000 /nfs/dbraw/zinc/27/20/00/705272000.db2.gz PNINRQHFYCLMQU-UHFFFAOYSA-N 1 2 322.405 1.626 20 10 DDCDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)CC)Cc1ccccc1O ZINC000823581785 705272002 /nfs/dbraw/zinc/27/20/02/705272002.db2.gz PNINRQHFYCLMQU-UHFFFAOYSA-N 1 2 322.405 1.626 20 10 DDCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862443422 705718290 /nfs/dbraw/zinc/71/82/90/705718290.db2.gz OYJGVRBQPZGUMX-UHFFFAOYSA-N 1 2 305.769 1.553 20 10 DDCDLO C[N@H+]1CCn2nc(NCc3cc([N+](=O)[O-])ccc3O)cc2C1 ZINC000865844299 706541962 /nfs/dbraw/zinc/54/19/62/706541962.db2.gz IEMICZJAFVPRFR-UHFFFAOYSA-N 1 2 303.322 1.554 20 10 DDCDLO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000883374901 707987098 /nfs/dbraw/zinc/98/70/98/707987098.db2.gz VCISPYVSMOVOGX-HGNGGELXSA-N 1 2 305.346 1.897 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894407748 711107406 /nfs/dbraw/zinc/10/74/06/711107406.db2.gz BOEDYMLCCKOGKC-KGLIPLIRSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894407748 711107407 /nfs/dbraw/zinc/10/74/07/711107407.db2.gz BOEDYMLCCKOGKC-KGLIPLIRSA-N 1 2 323.389 1.789 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1c(O)cccc1F ZINC000914083036 713340725 /nfs/dbraw/zinc/34/07/25/713340725.db2.gz NORMICBNURTHTJ-LLVKDONJSA-N 1 2 311.357 1.051 20 10 DDCDLO C[C@H]1C[N@H+](CCNC(=O)NCc2c(O)cccc2F)CCO1 ZINC000915827505 713432645 /nfs/dbraw/zinc/43/26/45/713432645.db2.gz IOJAZOPBKAWHKB-NSHDSACASA-N 1 2 311.357 1.051 20 10 DDCDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2c(O)cccc2F)CCO1 ZINC000915827505 713432646 /nfs/dbraw/zinc/43/26/46/713432646.db2.gz IOJAZOPBKAWHKB-NSHDSACASA-N 1 2 311.357 1.051 20 10 DDCDLO Cc1cc(C)c(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001274212505 852041552 /nfs/dbraw/zinc/04/15/52/852041552.db2.gz AUCQZZFBZXDNOE-HZPDHXFCSA-N 1 2 310.344 1.713 20 10 DDCDLO Cc1cc(C)c(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001274212505 852041553 /nfs/dbraw/zinc/04/15/53/852041553.db2.gz AUCQZZFBZXDNOE-HZPDHXFCSA-N 1 2 310.344 1.713 20 10 DDCDLO Oc1cccc(Cl)c1C[NH+]1CCN(c2ncncn2)CC1 ZINC001140342581 860621589 /nfs/dbraw/zinc/62/15/89/860621589.db2.gz PVCHZJSBRSHCRJ-UHFFFAOYSA-N 1 2 305.769 1.553 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C(C)C)CC2)c(OC)c1 ZINC001141032941 860768713 /nfs/dbraw/zinc/76/87/13/860768713.db2.gz UDHCZVDVZNBSGI-UHFFFAOYSA-N 1 2 322.405 1.710 20 10 DDCDLO CN(CCCNC(=O)Cc1ccc(O)c(O)c1)c1cccc[nH+]1 ZINC001153119703 863723145 /nfs/dbraw/zinc/72/31/45/863723145.db2.gz RPQODYXPBPHYLR-UHFFFAOYSA-N 1 2 315.373 1.678 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N)cc1 ZINC001338695316 870117875 /nfs/dbraw/zinc/11/78/75/870117875.db2.gz CKEXVRWSCYVTQW-OAHLLOKOSA-N 1 2 306.410 1.179 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nnn(C)c21 ZINC001203590339 870655155 /nfs/dbraw/zinc/65/51/55/870655155.db2.gz XFTPXUSLKIFXHW-GFCCVEGCSA-N 1 2 318.377 1.275 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nnn(C)c21 ZINC001203590339 870655164 /nfs/dbraw/zinc/65/51/64/870655164.db2.gz XFTPXUSLKIFXHW-GFCCVEGCSA-N 1 2 318.377 1.275 20 10 DDCDLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204282289 871039926 /nfs/dbraw/zinc/03/99/26/871039926.db2.gz PBOMIAWINLTPNX-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc(O)c1O ZINC001204350258 871070771 /nfs/dbraw/zinc/07/07/71/871070771.db2.gz FGPOPHMVKIPMCV-CYBMUJFWSA-N 1 2 322.405 1.843 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc(O)c1O ZINC001204350258 871070782 /nfs/dbraw/zinc/07/07/82/871070782.db2.gz FGPOPHMVKIPMCV-CYBMUJFWSA-N 1 2 322.405 1.843 20 10 DDCDLO COc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231637643 885775322 /nfs/dbraw/zinc/77/53/22/885775322.db2.gz PIZRZNWUWDNWCE-NSHDSACASA-N 1 2 315.391 1.115 20 10 DDCDLO COc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231637643 885775339 /nfs/dbraw/zinc/77/53/39/885775339.db2.gz PIZRZNWUWDNWCE-NSHDSACASA-N 1 2 315.391 1.115 20 10 DDCDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)N(C)C)O3)c(O)c1 ZINC001277568290 885885499 /nfs/dbraw/zinc/88/54/99/885885499.db2.gz NPDOZSLYTPQESK-HNNXBMFYSA-N 1 2 304.390 1.522 20 10 DDCDLO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](F)C[C@H]3C(N)=O)c2c1 ZINC001234553104 888088097 /nfs/dbraw/zinc/08/80/97/888088097.db2.gz VFUZXZCQFJZKKM-NHYWBVRUSA-N 1 2 318.348 1.952 20 10 DDCDLO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](F)C[C@H]3C(N)=O)c2c1 ZINC001234553104 888088115 /nfs/dbraw/zinc/08/81/15/888088115.db2.gz VFUZXZCQFJZKKM-NHYWBVRUSA-N 1 2 318.348 1.952 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1Cl ZINC001236803417 889363556 /nfs/dbraw/zinc/36/35/56/889363556.db2.gz TYDYCKVIAFDUHI-CQSZACIVSA-N 1 2 301.770 1.637 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@](C)(O)C2)c(O)c1Cl ZINC001236803417 889363570 /nfs/dbraw/zinc/36/35/70/889363570.db2.gz TYDYCKVIAFDUHI-CQSZACIVSA-N 1 2 301.770 1.637 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1Cl ZINC001236801652 889364299 /nfs/dbraw/zinc/36/42/99/889364299.db2.gz KPBAHQAFEZAUAY-IUODEOHRSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1Cl ZINC001236801652 889364310 /nfs/dbraw/zinc/36/43/10/889364310.db2.gz KPBAHQAFEZAUAY-IUODEOHRSA-N 1 2 315.797 1.619 20 10 DDCDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255223 890288354 /nfs/dbraw/zinc/28/83/54/890288354.db2.gz PDEQIMIOMORIED-UHFFFAOYSA-N 1 2 319.336 1.779 20 10 DDCDLO C[C@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000051687457 352591617 /nfs/dbraw/zinc/59/16/17/352591617.db2.gz OBASOTIVVADOBJ-AWEZNQCLSA-N 1 2 305.422 1.432 20 10 DDCDLO C[C@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000051687457 352591620 /nfs/dbraw/zinc/59/16/20/352591620.db2.gz OBASOTIVVADOBJ-AWEZNQCLSA-N 1 2 305.422 1.432 20 10 DDCDLO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294113785 286680056 /nfs/dbraw/zinc/68/00/56/286680056.db2.gz FZWUFDPJNXQMSE-UHFFFAOYSA-N 1 2 324.805 1.604 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271167120 407549305 /nfs/dbraw/zinc/54/93/05/407549305.db2.gz GGAMOOTZMYSEDY-CQSZACIVSA-N 1 2 309.385 1.229 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271167120 407549310 /nfs/dbraw/zinc/54/93/10/407549310.db2.gz GGAMOOTZMYSEDY-CQSZACIVSA-N 1 2 309.385 1.229 20 10 DDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nccc(N)n1 ZINC000134962113 407959242 /nfs/dbraw/zinc/95/92/42/407959242.db2.gz AYLLVYZRRPBQNZ-UHFFFAOYSA-N 1 2 313.405 1.527 20 10 DDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nccc(N)n1 ZINC000134962113 407959249 /nfs/dbraw/zinc/95/92/49/407959249.db2.gz AYLLVYZRRPBQNZ-UHFFFAOYSA-N 1 2 313.405 1.527 20 10 DDCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCN1C(=O)CNC1=O ZINC000270881687 408722519 /nfs/dbraw/zinc/72/25/19/408722519.db2.gz NQCUJHFCGAXXQD-UHFFFAOYSA-N 1 2 317.389 1.780 20 10 DDCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCN1C(=O)CNC1=O ZINC000270881687 408722526 /nfs/dbraw/zinc/72/25/26/408722526.db2.gz NQCUJHFCGAXXQD-UHFFFAOYSA-N 1 2 317.389 1.780 20 10 DDCDLO CC1(C)C[N@H+](CCNC(=O)c2c(F)ccc(O)c2O)CCO1 ZINC000295254500 409398954 /nfs/dbraw/zinc/39/89/54/409398954.db2.gz NAXZBAHHRVHCCD-UHFFFAOYSA-N 1 2 312.341 1.078 20 10 DDCDLO CC1(C)C[N@@H+](CCNC(=O)c2c(F)ccc(O)c2O)CCO1 ZINC000295254500 409398955 /nfs/dbraw/zinc/39/89/55/409398955.db2.gz NAXZBAHHRVHCCD-UHFFFAOYSA-N 1 2 312.341 1.078 20 10 DDCDLO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](C)[NH+]1CCOCC1 ZINC000295369088 409453008 /nfs/dbraw/zinc/45/30/08/409453008.db2.gz WNPTWXIIDNHFCM-NXEZZACHSA-N 1 2 312.341 1.076 20 10 DDCDLO CN(Cc1ccccc1O)c1cc(N2CCOCC2)nc[nH+]1 ZINC000302862577 410878191 /nfs/dbraw/zinc/87/81/91/410878191.db2.gz WFRQZBPILSXNKQ-UHFFFAOYSA-N 1 2 300.362 1.655 20 10 DDCDLO CN(Cc1ccccc1O)c1cc(N2CCOCC2)[nH+]cn1 ZINC000302862577 410878197 /nfs/dbraw/zinc/87/81/97/410878197.db2.gz WFRQZBPILSXNKQ-UHFFFAOYSA-N 1 2 300.362 1.655 20 10 DDCDLO COc1cccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1O ZINC000366093514 418429418 /nfs/dbraw/zinc/42/94/18/418429418.db2.gz SXZJARISLUMGMB-NSHDSACASA-N 1 2 316.361 1.481 20 10 DDCDLO COc1cccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1O ZINC000366093514 418429421 /nfs/dbraw/zinc/42/94/21/418429421.db2.gz SXZJARISLUMGMB-NSHDSACASA-N 1 2 316.361 1.481 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373732383 418453163 /nfs/dbraw/zinc/45/31/63/418453163.db2.gz FDIWOTUEZLMOBM-WCQYABFASA-N 1 2 315.373 1.604 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000369595471 418735290 /nfs/dbraw/zinc/73/52/90/418735290.db2.gz PIPAHSLLUOVXSH-CYBMUJFWSA-N 1 2 315.377 1.572 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000369595471 418735291 /nfs/dbraw/zinc/73/52/91/418735291.db2.gz PIPAHSLLUOVXSH-CYBMUJFWSA-N 1 2 315.377 1.572 20 10 DDCDLO COC(=O)COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492765326 420656311 /nfs/dbraw/zinc/65/63/11/420656311.db2.gz LQUFJDXSNQQKTB-FPYGCLRLSA-N 1 2 315.329 1.638 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([NH3+])c1cscn1 ZINC000580332052 333287682 /nfs/dbraw/zinc/28/76/82/333287682.db2.gz CADPXVHKFYGBIM-CQSZACIVSA-N 1 2 318.402 1.635 20 10 DDCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnnn3C)CC2)cc1 ZINC000188848556 524406237 /nfs/dbraw/zinc/40/62/37/524406237.db2.gz JKTRUEAXINHWTB-CYBMUJFWSA-N 1 2 316.409 1.492 20 10 DDCDLO COc1ccc(N2CCC[N@H+]([C@H](C)c3nnnn3C)CC2)cc1 ZINC000188848556 524406247 /nfs/dbraw/zinc/40/62/47/524406247.db2.gz JKTRUEAXINHWTB-CYBMUJFWSA-N 1 2 316.409 1.492 20 10 DDCDLO COc1cccc(CNC(=O)NCCCCn2cc[nH+]c2)c1O ZINC000745713843 699991031 /nfs/dbraw/zinc/99/10/31/699991031.db2.gz CGPDNLKVTIYXOS-UHFFFAOYSA-N 1 2 318.377 1.877 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)NCc2c[nH+]cn2C)cc1 ZINC000292122900 698576345 /nfs/dbraw/zinc/57/63/45/698576345.db2.gz XBAOOGHEUBTWBD-UHFFFAOYSA-N 1 2 301.394 1.828 20 10 DDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000729615088 699483554 /nfs/dbraw/zinc/48/35/54/699483554.db2.gz WXINUDCYOMJABJ-CYBMUJFWSA-N 1 2 307.394 1.254 20 10 DDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000729615088 699483556 /nfs/dbraw/zinc/48/35/56/699483556.db2.gz WXINUDCYOMJABJ-CYBMUJFWSA-N 1 2 307.394 1.254 20 10 DDCDLO COc1cc(O)c(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cc1OC ZINC000792191913 699682016 /nfs/dbraw/zinc/68/20/16/699682016.db2.gz FDYNKHQJSOVIEA-QWRGUYRKSA-N 1 2 313.419 1.751 20 10 DDCDLO Cc1cc(N(C)C)ccc1C[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000840952555 702291693 /nfs/dbraw/zinc/29/16/93/702291693.db2.gz DZTHGCLPQCMGKS-UHFFFAOYSA-N 1 2 305.422 1.350 20 10 DDCDLO C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000845281343 703138354 /nfs/dbraw/zinc/13/83/54/703138354.db2.gz NCEYMAPXFBIVJT-JTQLQIEISA-N 1 2 304.302 1.672 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000855224169 704473992 /nfs/dbraw/zinc/47/39/92/704473992.db2.gz FFAHTBSRTAQFPN-ZDUSSCGKSA-N 1 2 314.389 1.366 20 10 DDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824678704 705505053 /nfs/dbraw/zinc/50/50/53/705505053.db2.gz UOCURUBANSIEEC-JTQLQIEISA-N 1 2 324.805 1.602 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000825446642 705672429 /nfs/dbraw/zinc/67/24/29/705672429.db2.gz MSYHSLIWOGUZKL-LLVKDONJSA-N 1 2 309.753 1.090 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000825446642 705672431 /nfs/dbraw/zinc/67/24/31/705672431.db2.gz MSYHSLIWOGUZKL-LLVKDONJSA-N 1 2 309.753 1.090 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862475843 705721165 /nfs/dbraw/zinc/72/11/65/705721165.db2.gz ZCMQYCDDKRPZPU-AWEZNQCLSA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862475843 705721169 /nfs/dbraw/zinc/72/11/69/705721169.db2.gz ZCMQYCDDKRPZPU-AWEZNQCLSA-N 1 2 317.744 1.949 20 10 DDCDLO CC[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(F)cc1O ZINC000883305350 707973206 /nfs/dbraw/zinc/97/32/06/707973206.db2.gz UXIJAVPYVINPII-LLVKDONJSA-N 1 2 319.340 1.107 20 10 DDCDLO CCn1nncc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000838783004 707977487 /nfs/dbraw/zinc/97/74/87/707977487.db2.gz GIQMRZMIIHAIEN-UHFFFAOYSA-N 1 2 301.394 1.629 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894070048 710950876 /nfs/dbraw/zinc/95/08/76/710950876.db2.gz MPELQMKLHMRKGC-UHFFFAOYSA-N 1 2 307.300 1.322 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894070048 710950877 /nfs/dbraw/zinc/95/08/77/710950877.db2.gz MPELQMKLHMRKGC-UHFFFAOYSA-N 1 2 307.300 1.322 20 10 DDCDLO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001200449347 748240844 /nfs/dbraw/zinc/24/08/44/748240844.db2.gz AWYKUCFVYVKTEN-LBPRGKRZSA-N 1 2 301.793 1.520 20 10 DDCDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC001119198188 781355915 /nfs/dbraw/zinc/35/59/15/781355915.db2.gz ODICZBBCBDDRAQ-ZDUSSCGKSA-N 1 2 318.421 1.053 20 10 DDCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(N)=O)CC2)c(OC)c1 ZINC001138389028 860083722 /nfs/dbraw/zinc/08/37/22/860083722.db2.gz IOWDEODSXREPEO-UHFFFAOYSA-N 1 2 320.437 1.738 20 10 DDCDLO CC(C)(O)CC[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139687249 860451121 /nfs/dbraw/zinc/45/11/21/860451121.db2.gz JULXKKXJYWTIGA-UHFFFAOYSA-N 1 2 314.376 1.949 20 10 DDCDLO OC[C@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660639 860669548 /nfs/dbraw/zinc/66/95/48/860669548.db2.gz YYFDDDVBRGYXMQ-INIZCTEOSA-N 1 2 312.360 1.569 20 10 DDCDLO OC[C@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660639 860669550 /nfs/dbraw/zinc/66/95/50/860669550.db2.gz YYFDDDVBRGYXMQ-INIZCTEOSA-N 1 2 312.360 1.569 20 10 DDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660513 860669736 /nfs/dbraw/zinc/66/97/36/860669736.db2.gz UMIQOQGVQYNFEH-ZFWWWQNUSA-N 1 2 312.360 1.567 20 10 DDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660513 860669742 /nfs/dbraw/zinc/66/97/42/860669742.db2.gz UMIQOQGVQYNFEH-ZFWWWQNUSA-N 1 2 312.360 1.567 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]3CN(C)C[C@@H]32)c(OC)c1 ZINC001141029129 860766517 /nfs/dbraw/zinc/76/65/17/860766517.db2.gz JQJYEKIHCRLMAR-WFASDCNBSA-N 1 2 306.406 1.935 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]3CN(C)C[C@@H]32)c(OC)c1 ZINC001141029129 860766520 /nfs/dbraw/zinc/76/65/20/860766520.db2.gz JQJYEKIHCRLMAR-WFASDCNBSA-N 1 2 306.406 1.935 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203931797 870839891 /nfs/dbraw/zinc/83/98/91/870839891.db2.gz WRFPFBTYHGHUAF-HNNXBMFYSA-N 1 2 304.390 1.707 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203931797 870839899 /nfs/dbraw/zinc/83/98/99/870839899.db2.gz WRFPFBTYHGHUAF-HNNXBMFYSA-N 1 2 304.390 1.707 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203937272 870844541 /nfs/dbraw/zinc/84/45/41/870844541.db2.gz SOAPAZBWURGWJZ-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203937272 870844551 /nfs/dbraw/zinc/84/45/51/870844551.db2.gz SOAPAZBWURGWJZ-MRXNPFEDSA-N 1 2 306.406 1.907 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C2)cc1 ZINC001342197429 872062469 /nfs/dbraw/zinc/06/24/69/872062469.db2.gz HVZIPJYJTBFMGZ-GWCFXTLKSA-N 1 2 313.348 1.373 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001346449716 873759316 /nfs/dbraw/zinc/75/93/16/873759316.db2.gz HEHJGPROIRRJJS-NSHDSACASA-N 1 2 303.362 1.944 20 10 DDCDLO COCCN(C)C(=O)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277488705 885255524 /nfs/dbraw/zinc/25/55/24/885255524.db2.gz FLYOHRQWBCMEIL-CYBMUJFWSA-N 1 2 322.380 1.458 20 10 DDCDLO O=C([C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2)N1CCCCO1 ZINC001277491421 885297354 /nfs/dbraw/zinc/29/73/54/885297354.db2.gz JQFLQTNUBVLAHI-CYBMUJFWSA-N 1 2 320.364 1.907 20 10 DDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001233331867 886929810 /nfs/dbraw/zinc/92/98/10/886929810.db2.gz NXXYMOUMIIMVIA-UHFFFAOYSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1ccc(F)c(F)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC001233331867 886929816 /nfs/dbraw/zinc/92/98/16/886929816.db2.gz NXXYMOUMIIMVIA-UHFFFAOYSA-N 1 2 312.360 1.967 20 10 DDCDLO COCc1noc2c1C[N@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233484789 887018617 /nfs/dbraw/zinc/01/86/17/887018617.db2.gz XNGPJZQPQXAZKF-UHFFFAOYSA-N 1 2 306.318 1.496 20 10 DDCDLO COCc1noc2c1C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233484789 887018629 /nfs/dbraw/zinc/01/86/29/887018629.db2.gz XNGPJZQPQXAZKF-UHFFFAOYSA-N 1 2 306.318 1.496 20 10 DDCDLO C[C@@H]1CN(C2C[NH+](Cc3cc(O)c(O)cc3O)C2)C[C@@H](C)O1 ZINC001233487642 887021071 /nfs/dbraw/zinc/02/10/71/887021071.db2.gz MNYSZEMKQYTHDJ-GHMZBOCLSA-N 1 2 308.378 1.097 20 10 DDCDLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273469369 130124920 /nfs/dbraw/zinc/12/49/20/130124920.db2.gz JIOOQAUOEUBQGM-NOZJJQNGSA-N 1 2 306.322 1.418 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nncn3C)CC2)cc1 ZINC000287395597 131277898 /nfs/dbraw/zinc/27/78/98/131277898.db2.gz RNQUMVKMDJBDIT-CYBMUJFWSA-N 1 2 301.394 1.707 20 10 DDCDLO CCOCCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000111164595 407400019 /nfs/dbraw/zinc/40/00/19/407400019.db2.gz KWTHZLQJVBALGH-UHFFFAOYSA-N 1 2 308.378 1.275 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)c1 ZINC000179716869 407825010 /nfs/dbraw/zinc/82/50/10/407825010.db2.gz PVEBOILXKFQRCW-OAHLLOKOSA-N 1 2 308.378 1.128 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](CNC(C)=O)C2)c1 ZINC000179716869 407825016 /nfs/dbraw/zinc/82/50/16/407825016.db2.gz PVEBOILXKFQRCW-OAHLLOKOSA-N 1 2 308.378 1.128 20 10 DDCDLO COc1cc(Cl)cc(C[NH+]2CCN(CCO)CC2)c1O ZINC000184669866 408665034 /nfs/dbraw/zinc/66/50/34/408665034.db2.gz TXTDUMVCFYIWHP-UHFFFAOYSA-N 1 2 300.786 1.164 20 10 DDCDLO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)[NH+]1CCOCC1 ZINC000295369091 409452531 /nfs/dbraw/zinc/45/25/31/409452531.db2.gz WNPTWXIIDNHFCM-ZJUUUORDSA-N 1 2 312.341 1.076 20 10 DDCDLO CCOc1ccc(O)c(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1 ZINC000374794448 418562855 /nfs/dbraw/zinc/56/28/55/418562855.db2.gz AOEKJEXNAFNWHD-NSHDSACASA-N 1 2 318.377 1.493 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000364304952 418775913 /nfs/dbraw/zinc/77/59/13/418775913.db2.gz MUILHGUQRGKXTN-YPMHNXCESA-N 1 2 315.373 1.604 20 10 DDCDLO CN1CCc2cc(CNc3ncnc4c3C[N@H+](C)CC4)ccc21 ZINC000372267711 418848031 /nfs/dbraw/zinc/84/80/31/418848031.db2.gz MHSQMKHPFHPDHX-UHFFFAOYSA-N 1 2 309.417 2.069 20 10 DDCDLO CN1CCc2cc(CNc3ncnc4c3C[N@@H+](C)CC4)ccc21 ZINC000372267711 418848034 /nfs/dbraw/zinc/84/80/34/418848034.db2.gz MHSQMKHPFHPDHX-UHFFFAOYSA-N 1 2 309.417 2.069 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778913808 698381725 /nfs/dbraw/zinc/38/17/25/698381725.db2.gz INDLQRDMSTVKDZ-UHFFFAOYSA-N 1 2 324.340 1.651 20 10 DDCDLO CS(=O)(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000314324664 698688756 /nfs/dbraw/zinc/68/87/56/698688756.db2.gz NNMIPDVUPFOBAV-UHFFFAOYSA-N 1 2 313.375 1.130 20 10 DDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CCCOCC1 ZINC000809751538 701685879 /nfs/dbraw/zinc/68/58/79/701685879.db2.gz RRCHEPHFIIUOSI-UHFFFAOYSA-N 1 2 302.777 1.997 20 10 DDCDLO COc1ccc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)c(O)c1 ZINC000840295154 702058800 /nfs/dbraw/zinc/05/88/00/702058800.db2.gz BTOFYAGDXADELJ-SNVBAGLBSA-N 1 2 304.350 1.596 20 10 DDCDLO COc1ccc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)c(O)c1 ZINC000840295154 702058808 /nfs/dbraw/zinc/05/88/08/702058808.db2.gz BTOFYAGDXADELJ-SNVBAGLBSA-N 1 2 304.350 1.596 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840916994 702278509 /nfs/dbraw/zinc/27/85/09/702278509.db2.gz DYNSSSRIJMGFKV-MRXNPFEDSA-N 1 2 306.406 1.825 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840916994 702278512 /nfs/dbraw/zinc/27/85/12/702278512.db2.gz DYNSSSRIJMGFKV-MRXNPFEDSA-N 1 2 306.406 1.825 20 10 DDCDLO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000846189772 703248792 /nfs/dbraw/zinc/24/87/92/703248792.db2.gz SCAOOFLCCMOZPE-WPRPVWTQSA-N 1 2 320.361 1.355 20 10 DDCDLO CCN1OC[C@H]([N@@H+]2CCCN(c3ccc(OC)cc3)CC2)C1=O ZINC000851733227 703839767 /nfs/dbraw/zinc/83/97/67/703839767.db2.gz ODPIWUGTZRONOB-INIZCTEOSA-N 1 2 319.405 1.370 20 10 DDCDLO CCN1OC[C@H]([N@H+]2CCCN(c3ccc(OC)cc3)CC2)C1=O ZINC000851733227 703839769 /nfs/dbraw/zinc/83/97/69/703839769.db2.gz ODPIWUGTZRONOB-INIZCTEOSA-N 1 2 319.405 1.370 20 10 DDCDLO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C)C1 ZINC000877489824 706121797 /nfs/dbraw/zinc/12/17/97/706121797.db2.gz WLGQXMRGOYPNFW-WDEREUQCSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C)C1 ZINC000877489824 706121798 /nfs/dbraw/zinc/12/17/98/706121798.db2.gz WLGQXMRGOYPNFW-WDEREUQCSA-N 1 2 300.349 1.557 20 10 DDCDLO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877534471 706134734 /nfs/dbraw/zinc/13/47/34/706134734.db2.gz ACHAYRLKZKUFTH-JTQLQIEISA-N 1 2 304.362 1.628 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877593036 706152589 /nfs/dbraw/zinc/15/25/89/706152589.db2.gz MZSGSGWQRLHKRV-WDEREUQCSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877593036 706152592 /nfs/dbraw/zinc/15/25/92/706152592.db2.gz MZSGSGWQRLHKRV-WDEREUQCSA-N 1 2 300.349 1.557 20 10 DDCDLO CC1(C)[C@H](NC(=O)C2=CC(=O)CS2)C[C@H]1[NH+]1CCOCC1 ZINC000880503452 706996812 /nfs/dbraw/zinc/99/68/12/706996812.db2.gz YACGXZHGFVBFFY-CHWSQXEVSA-N 1 2 310.419 1.683 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835026327 707157786 /nfs/dbraw/zinc/15/77/86/707157786.db2.gz UYVLJINZZIAWOP-AWFCHZOYSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835026327 707157788 /nfs/dbraw/zinc/15/77/88/707157788.db2.gz UYVLJINZZIAWOP-AWFCHZOYSA-N 1 2 308.447 1.885 20 10 DDCDLO COc1cccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c1O ZINC000901126164 709936927 /nfs/dbraw/zinc/93/69/27/709936927.db2.gz AOHKZYDIRJZYHU-JLHYYAGUSA-N 1 2 320.389 1.296 20 10 DDCDLO COc1cc(C)cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000895183464 711447111 /nfs/dbraw/zinc/44/71/11/711447111.db2.gz LFHVPKNXEDZOAU-LBPRGKRZSA-N 1 2 318.377 1.969 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC)c1O ZINC001203617374 744232988 /nfs/dbraw/zinc/23/29/88/744232988.db2.gz PASRDMVFTVPLOW-CQSZACIVSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC)c1O ZINC001203617374 744232991 /nfs/dbraw/zinc/23/29/91/744232991.db2.gz PASRDMVFTVPLOW-CQSZACIVSA-N 1 2 323.389 1.945 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H]2C[C@H](C)n3ncnc32)ccc1[N+](=O)[O-] ZINC000826889895 759418793 /nfs/dbraw/zinc/41/87/93/759418793.db2.gz ZRGGJAMKTDVFNU-WPRPVWTQSA-N 1 2 319.321 1.696 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001269916931 842150722 /nfs/dbraw/zinc/15/07/22/842150722.db2.gz AVLIDYNLYDYOMO-UHFFFAOYSA-N 1 2 303.362 1.193 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001269917171 842151612 /nfs/dbraw/zinc/15/16/12/842151612.db2.gz GBJYSADGAJLHBH-OKILXGFUSA-N 1 2 317.389 1.724 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001269917171 842151617 /nfs/dbraw/zinc/15/16/17/842151617.db2.gz GBJYSADGAJLHBH-OKILXGFUSA-N 1 2 317.389 1.724 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(C3COC3)CC2)c(Cl)c1 ZINC001140921963 860732364 /nfs/dbraw/zinc/73/23/64/860732364.db2.gz YJVJWOMNTRUDNC-UHFFFAOYSA-N 1 2 309.841 1.922 20 10 DDCDLO COc1ccc(N2CC3(C2)C[NH+](CC(=O)N(C)C)C3)cc1F ZINC001277010927 881619738 /nfs/dbraw/zinc/61/97/38/881619738.db2.gz YYFIJLDWSDBXEH-UHFFFAOYSA-N 1 2 307.369 1.045 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878211 870813039 /nfs/dbraw/zinc/81/30/39/870813039.db2.gz CTPDWGFYKFCEBP-GFCCVEGCSA-N 1 2 307.346 1.442 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878211 870813051 /nfs/dbraw/zinc/81/30/51/870813051.db2.gz CTPDWGFYKFCEBP-GFCCVEGCSA-N 1 2 307.346 1.442 20 10 DDCDLO CC(C)(C)OC(=O)CN1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879513 870816289 /nfs/dbraw/zinc/81/62/89/870816289.db2.gz SJNDWUMIFSUBDD-UHFFFAOYSA-N 1 2 322.405 1.557 20 10 DDCDLO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1Cl ZINC001276806968 878444302 /nfs/dbraw/zinc/44/43/02/878444302.db2.gz WKIRUPCOHCLZKM-TXEJJXNPSA-N 1 2 312.797 1.569 20 10 DDCDLO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1Cl ZINC001276806968 878444310 /nfs/dbraw/zinc/44/43/10/878444310.db2.gz WKIRUPCOHCLZKM-TXEJJXNPSA-N 1 2 312.797 1.569 20 10 DDCDLO C[N@H+](Cc1c(O)cc(Br)cc1F)C[C@@H](O)CO ZINC001233028197 886739907 /nfs/dbraw/zinc/73/99/07/886739907.db2.gz KGGXQLDBIMKLAC-MRVPVSSYSA-N 1 2 308.147 1.079 20 10 DDCDLO C[N@@H+](Cc1c(O)cc(Br)cc1F)C[C@@H](O)CO ZINC001233028197 886739903 /nfs/dbraw/zinc/73/99/03/886739903.db2.gz KGGXQLDBIMKLAC-MRVPVSSYSA-N 1 2 308.147 1.079 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC3(COC3)C2)cc1Br ZINC001233135200 886809773 /nfs/dbraw/zinc/80/97/73/886809773.db2.gz OLRPWFBQCHSDLR-UHFFFAOYSA-N 1 2 314.179 1.996 20 10 DDCDLO OC[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237077485 889495588 /nfs/dbraw/zinc/49/55/88/889495588.db2.gz IBZIIUWIYBUVMW-UFBFGSQYSA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237077485 889495598 /nfs/dbraw/zinc/49/55/98/889495598.db2.gz IBZIIUWIYBUVMW-UFBFGSQYSA-N 1 2 306.189 1.874 20 10 DDCDLO C[N@H+](CCN1CCOCC1)Cc1cc(F)cc(Cl)c1O ZINC001237808616 889864936 /nfs/dbraw/zinc/86/49/36/889864936.db2.gz UVKFVOXXKLZDKM-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO C[N@@H+](CCN1CCOCC1)Cc1cc(F)cc(Cl)c1O ZINC001237808616 889864949 /nfs/dbraw/zinc/86/49/49/889864949.db2.gz UVKFVOXXKLZDKM-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1Br ZINC001278279605 890342616 /nfs/dbraw/zinc/34/26/16/890342616.db2.gz ZVOQXUBTWBSBEJ-OQPBUACISA-N 1 2 311.179 1.604 20 10 DDCDLO NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1Br ZINC001278279605 890342632 /nfs/dbraw/zinc/34/26/32/890342632.db2.gz ZVOQXUBTWBSBEJ-OQPBUACISA-N 1 2 311.179 1.604 20 10 DDCDLO COCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000066149268 352979687 /nfs/dbraw/zinc/97/96/87/352979687.db2.gz BRLMIESOXFHRLX-UHFFFAOYSA-N 1 2 321.421 1.952 20 10 DDCDLO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(F)c(F)c1O ZINC000191201330 296117323 /nfs/dbraw/zinc/11/73/23/296117323.db2.gz PGLIUEBFZVDABP-SECBINFHSA-N 1 2 314.332 1.603 20 10 DDCDLO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCNC1=O ZINC000282253430 409019127 /nfs/dbraw/zinc/01/91/27/409019127.db2.gz GRIWJEIEBCYNRG-ZDUSSCGKSA-N 1 2 310.781 1.959 20 10 DDCDLO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCNC1=O ZINC000282253430 409019128 /nfs/dbraw/zinc/01/91/28/409019128.db2.gz GRIWJEIEBCYNRG-ZDUSSCGKSA-N 1 2 310.781 1.959 20 10 DDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000367302290 418581882 /nfs/dbraw/zinc/58/18/82/418581882.db2.gz GSFZXJBBJLBOEM-KRWDZBQOSA-N 1 2 319.449 1.822 20 10 DDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000367302290 418581884 /nfs/dbraw/zinc/58/18/84/418581884.db2.gz GSFZXJBBJLBOEM-KRWDZBQOSA-N 1 2 319.449 1.822 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000375331745 418630079 /nfs/dbraw/zinc/63/00/79/418630079.db2.gz LWDVUEDBUSBMOD-KRWDZBQOSA-N 1 2 317.433 1.480 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000375331745 418630082 /nfs/dbraw/zinc/63/00/82/418630082.db2.gz LWDVUEDBUSBMOD-KRWDZBQOSA-N 1 2 317.433 1.480 20 10 DDCDLO COc1cccc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)c1O ZINC000367886832 418653457 /nfs/dbraw/zinc/65/34/57/418653457.db2.gz RAVFPZHRSFJNTJ-UHFFFAOYSA-N 1 2 318.377 1.277 20 10 DDCDLO COc1ccc(O)c(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)c1 ZINC000376168009 418693060 /nfs/dbraw/zinc/69/30/60/418693060.db2.gz SKXWMJBGBNAZOZ-UHFFFAOYSA-N 1 2 318.377 1.277 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000364304951 418775781 /nfs/dbraw/zinc/77/57/81/418775781.db2.gz MUILHGUQRGKXTN-WCQYABFASA-N 1 2 315.373 1.604 20 10 DDCDLO COc1c(O)c(C[NH+]2CC(n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000364755058 418808578 /nfs/dbraw/zinc/80/85/78/418808578.db2.gz ABWNIGKBOQXSIP-UHFFFAOYSA-N 1 2 318.333 1.871 20 10 DDCDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000365466968 418864584 /nfs/dbraw/zinc/86/45/84/418864584.db2.gz ZGUAEYOVDONXNJ-NSHDSACASA-N 1 2 301.346 1.851 20 10 DDCDLO COc1ccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000074673431 696415709 /nfs/dbraw/zinc/41/57/09/696415709.db2.gz MJSSLMGRUXMCRG-UHFFFAOYSA-N 1 2 300.362 1.310 20 10 DDCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(N)=O ZINC000708168401 699248938 /nfs/dbraw/zinc/24/89/38/699248938.db2.gz BPSSXWAYDPXUNP-RXMQYKEDSA-N 1 2 307.575 1.772 20 10 DDCDLO CCn1ncnc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000794839965 699832599 /nfs/dbraw/zinc/83/25/99/699832599.db2.gz GWCBDCKUIHPBCD-JTQLQIEISA-N 1 2 304.350 1.641 20 10 DDCDLO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Br)cc(F)c1O ZINC000866421353 706694588 /nfs/dbraw/zinc/69/45/88/706694588.db2.gz ZIVSCFNIERNXBW-FZYJTZEISA-N 1 2 320.158 1.704 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824522138 705470370 /nfs/dbraw/zinc/47/03/70/705470370.db2.gz LUBHOZMVLJOPHY-NSHDSACASA-N 1 2 313.195 1.995 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824522138 705470371 /nfs/dbraw/zinc/47/03/71/705470371.db2.gz LUBHOZMVLJOPHY-NSHDSACASA-N 1 2 313.195 1.995 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876722006 705838832 /nfs/dbraw/zinc/83/88/32/705838832.db2.gz ZNICHMBXTCYEMB-VIFPVBQESA-N 1 2 320.361 1.171 20 10 DDCDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876722006 705838836 /nfs/dbraw/zinc/83/88/36/705838836.db2.gz ZNICHMBXTCYEMB-VIFPVBQESA-N 1 2 320.361 1.171 20 10 DDCDLO OC1CCN(c2ccc(C[N@@H+]3CCc4c[nH]nc4C3)cc2)CC1 ZINC000876760872 705862038 /nfs/dbraw/zinc/86/20/38/705862038.db2.gz RTVGXUMIWBIQER-UHFFFAOYSA-N 1 2 312.417 1.929 20 10 DDCDLO OC1CCN(c2ccc(C[N@H+]3CCc4c[nH]nc4C3)cc2)CC1 ZINC000876760872 705862040 /nfs/dbraw/zinc/86/20/40/705862040.db2.gz RTVGXUMIWBIQER-UHFFFAOYSA-N 1 2 312.417 1.929 20 10 DDCDLO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)n1-c1ccc(F)cn1 ZINC000827390969 705991639 /nfs/dbraw/zinc/99/16/39/705991639.db2.gz VVVSEIMDNICSHA-UHFFFAOYSA-N 1 2 305.353 1.735 20 10 DDCDLO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)n1-c1ccc(F)cn1 ZINC000827390969 705991642 /nfs/dbraw/zinc/99/16/42/705991642.db2.gz VVVSEIMDNICSHA-UHFFFAOYSA-N 1 2 305.353 1.735 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000878983358 706551887 /nfs/dbraw/zinc/55/18/87/706551887.db2.gz KWKJYPFISJWVAO-SWLSCSKDSA-N 1 2 313.781 1.566 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000878983358 706551890 /nfs/dbraw/zinc/55/18/90/706551890.db2.gz KWKJYPFISJWVAO-SWLSCSKDSA-N 1 2 313.781 1.566 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCCc2cn(C)c[nH+]2)cc1F ZINC000838029752 707816748 /nfs/dbraw/zinc/81/67/48/707816748.db2.gz QEKFCPDPOHNPSA-UHFFFAOYSA-N 1 2 319.384 1.667 20 10 DDCDLO NC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000690731788 734620657 /nfs/dbraw/zinc/62/06/57/734620657.db2.gz KUQAYXGZXBFIDK-SECBINFHSA-N 1 2 314.183 1.397 20 10 DDCDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000690731788 734620660 /nfs/dbraw/zinc/62/06/60/734620660.db2.gz KUQAYXGZXBFIDK-SECBINFHSA-N 1 2 314.183 1.397 20 10 DDCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516210 772558928 /nfs/dbraw/zinc/55/89/28/772558928.db2.gz TWVGWYDRRPJUNE-UHFFFAOYSA-N 1 2 310.350 1.814 20 10 DDCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516210 772558931 /nfs/dbraw/zinc/55/89/31/772558931.db2.gz TWVGWYDRRPJUNE-UHFFFAOYSA-N 1 2 310.350 1.814 20 10 DDCDLO CC[C@@H](C(=O)NCc1cc(O)ccc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC001176755740 778243791 /nfs/dbraw/zinc/24/37/91/778243791.db2.gz UUKXVFJGYPZNCC-GJZGRUSLSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@@H](C(=O)NCc1cc(O)ccc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC001176755740 778243797 /nfs/dbraw/zinc/24/37/97/778243797.db2.gz UUKXVFJGYPZNCC-GJZGRUSLSA-N 1 2 322.405 1.603 20 10 DDCDLO COC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC001119445668 781457200 /nfs/dbraw/zinc/45/72/00/781457200.db2.gz NWWQDDHGXJZLBM-UHFFFAOYSA-N 1 2 300.305 1.945 20 10 DDCDLO COC(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC001119445668 781457204 /nfs/dbraw/zinc/45/72/04/781457204.db2.gz NWWQDDHGXJZLBM-UHFFFAOYSA-N 1 2 300.305 1.945 20 10 DDCDLO CN(C)C(=O)CN1CCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001275217569 852905823 /nfs/dbraw/zinc/90/58/23/852905823.db2.gz UEKHZCWEWGOCAM-UHFFFAOYSA-N 1 2 323.824 1.394 20 10 DDCDLO Cc1c(C[NH+]2CCN(S(C)(=O)=O)CC2)c2ccccc2n1C ZINC001138257013 860048207 /nfs/dbraw/zinc/04/82/07/860048207.db2.gz RZRJIPYELOAFEI-UHFFFAOYSA-N 1 2 321.446 1.564 20 10 DDCDLO CCOC(=O)C1C[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129123 860298772 /nfs/dbraw/zinc/29/87/72/860298772.db2.gz NPOWICOGXKVDBT-UHFFFAOYSA-N 1 2 317.341 1.802 20 10 DDCDLO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc2F)CC1 ZINC001328791600 863229631 /nfs/dbraw/zinc/22/96/31/863229631.db2.gz ISGVSCRNWWSJRZ-SFHVURJKSA-N 1 2 319.424 1.942 20 10 DDCDLO CN1CCN(c2ccc(C[N@H+]3CC[C@@]34CCOC4)cc2F)CC1 ZINC001328791600 863229641 /nfs/dbraw/zinc/22/96/41/863229641.db2.gz ISGVSCRNWWSJRZ-SFHVURJKSA-N 1 2 319.424 1.942 20 10 DDCDLO CCOC(=O)C[N@H+](CCc1cn(C)nn1)Cc1ccccc1O ZINC001351403712 876231235 /nfs/dbraw/zinc/23/12/35/876231235.db2.gz RCAIDUCNHALAAN-UHFFFAOYSA-N 1 2 318.377 1.129 20 10 DDCDLO CCOC(=O)C[N@@H+](CCc1cn(C)nn1)Cc1ccccc1O ZINC001351403712 876231248 /nfs/dbraw/zinc/23/12/48/876231248.db2.gz RCAIDUCNHALAAN-UHFFFAOYSA-N 1 2 318.377 1.129 20 10 DDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001277483834 885180906 /nfs/dbraw/zinc/18/09/06/885180906.db2.gz CYQWSQBQYFQRIL-ZDUSSCGKSA-N 1 2 304.325 1.160 20 10 DDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001277483834 885180914 /nfs/dbraw/zinc/18/09/14/885180914.db2.gz CYQWSQBQYFQRIL-ZDUSSCGKSA-N 1 2 304.325 1.160 20 10 DDCDLO COc1cc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c(O)cc1O ZINC001231636216 885771553 /nfs/dbraw/zinc/77/15/53/885771553.db2.gz LJVSLQZCTJILOU-CQSZACIVSA-N 1 2 322.405 1.403 20 10 DDCDLO COc1cc(C[N@@H+]2CCc3c(ncnc3OC)C2)c(O)cc1O ZINC001231636407 885772743 /nfs/dbraw/zinc/77/27/43/885772743.db2.gz UXWUUCQVUDARPN-UHFFFAOYSA-N 1 2 317.345 1.463 20 10 DDCDLO COc1cc(C[N@H+]2CCc3c(ncnc3OC)C2)c(O)cc1O ZINC001231636407 885772747 /nfs/dbraw/zinc/77/27/47/885772747.db2.gz UXWUUCQVUDARPN-UHFFFAOYSA-N 1 2 317.345 1.463 20 10 DDCDLO Oc1cc(O)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC001232260384 886191590 /nfs/dbraw/zinc/19/15/90/886191590.db2.gz OUODMQBQKYMCJF-GFCCVEGCSA-N 1 2 312.797 1.658 20 10 DDCDLO COC(=O)c1c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001232401857 886334172 /nfs/dbraw/zinc/33/41/72/886334172.db2.gz DSORSBKCMDBWIJ-RYUDHWBXSA-N 1 2 320.364 1.870 20 10 DDCDLO COC(=O)c1c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001232401857 886334192 /nfs/dbraw/zinc/33/41/92/886334192.db2.gz DSORSBKCMDBWIJ-RYUDHWBXSA-N 1 2 320.364 1.870 20 10 DDCDLO COc1cc(C[NH+]2CC3(COC3)C2)c(O)cc1Br ZINC001236745278 889326196 /nfs/dbraw/zinc/32/61/96/889326196.db2.gz NLPGJFOUPFBHPB-UHFFFAOYSA-N 1 2 314.179 1.996 20 10 DDCDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237672762 889793433 /nfs/dbraw/zinc/79/34/33/889793433.db2.gz AEHXQRZTZWBRSW-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237672762 889793444 /nfs/dbraw/zinc/79/34/44/889793444.db2.gz AEHXQRZTZWBRSW-ZDUSSCGKSA-N 1 2 309.362 1.937 20 10 DDCDLO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278254764 890285029 /nfs/dbraw/zinc/28/50/29/890285029.db2.gz HBRCSAVKUNMPIE-ZUZCIYMTSA-N 1 2 314.307 1.877 20 10 DDCDLO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278254764 890285042 /nfs/dbraw/zinc/28/50/42/890285042.db2.gz HBRCSAVKUNMPIE-ZUZCIYMTSA-N 1 2 314.307 1.877 20 10 DDCDLO COC(=O)c1cn(CC[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000285337309 131158665 /nfs/dbraw/zinc/15/86/65/131158665.db2.gz XTYMDGIDZLGLQP-UHFFFAOYSA-N 1 2 310.741 1.214 20 10 DDCDLO C[C@H](c1nncn1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000286715038 131247031 /nfs/dbraw/zinc/24/70/31/131247031.db2.gz CZIPMGOAHRPWQQ-CQSZACIVSA-N 1 2 315.421 1.845 20 10 DDCDLO C[C@H](c1nncn1C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000286715038 131247032 /nfs/dbraw/zinc/24/70/32/131247032.db2.gz CZIPMGOAHRPWQQ-CQSZACIVSA-N 1 2 315.421 1.845 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)cc1F ZINC000084963943 407096688 /nfs/dbraw/zinc/09/66/88/407096688.db2.gz RPTVBHOJEUOMQA-LBPRGKRZSA-N 1 2 309.385 1.433 20 10 DDCDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000111273591 407405146 /nfs/dbraw/zinc/40/51/46/407405146.db2.gz MEUKKNRGXIWJRR-YOEHRIQHSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000111273591 407405148 /nfs/dbraw/zinc/40/51/48/407405148.db2.gz MEUKKNRGXIWJRR-YOEHRIQHSA-N 1 2 319.449 1.868 20 10 DDCDLO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(O)c1O ZINC000179522795 407802248 /nfs/dbraw/zinc/80/22/48/407802248.db2.gz IGDJRWWFAQMIPN-CYBMUJFWSA-N 1 2 320.389 1.343 20 10 DDCDLO CCS(=O)(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000195158950 408814106 /nfs/dbraw/zinc/81/41/06/408814106.db2.gz LHVABEYQVHYLJM-UHFFFAOYSA-N 1 2 301.383 1.930 20 10 DDCDLO COc1c(O)c(CN2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000291533883 408880124 /nfs/dbraw/zinc/88/01/24/408880124.db2.gz KPJCOEGWJOTGLX-UHFFFAOYSA-N 1 2 304.306 1.521 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C2CC2)C2COC2)cc1 ZINC000298533567 410275252 /nfs/dbraw/zinc/27/52/52/410275252.db2.gz WRIKQCKBTBSTMG-UHFFFAOYSA-N 1 2 303.406 1.232 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C2CC2)C2COC2)cc1 ZINC000298533567 410275256 /nfs/dbraw/zinc/27/52/56/410275256.db2.gz WRIKQCKBTBSTMG-UHFFFAOYSA-N 1 2 303.406 1.232 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000271101905 295004396 /nfs/dbraw/zinc/00/43/96/295004396.db2.gz PUGCFNOQIBHFHB-HJTOQOCKSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000271101905 295004397 /nfs/dbraw/zinc/00/43/97/295004397.db2.gz PUGCFNOQIBHFHB-HJTOQOCKSA-N 1 2 313.419 1.751 20 10 DDCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000267081648 523480884 /nfs/dbraw/zinc/48/08/84/523480884.db2.gz KOOPCEHMHFATIC-VIFPVBQESA-N 1 2 321.333 1.843 20 10 DDCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000267081648 523480891 /nfs/dbraw/zinc/48/08/91/523480891.db2.gz KOOPCEHMHFATIC-VIFPVBQESA-N 1 2 321.333 1.843 20 10 DDCDLO CCOc1ccc([N@H+](CC)CCCN2C(=O)CNC2=O)cc1 ZINC000299433228 528479198 /nfs/dbraw/zinc/47/91/98/528479198.db2.gz VMPASEJXKLGYFP-UHFFFAOYSA-N 1 2 305.378 1.854 20 10 DDCDLO CCOc1ccc([N@@H+](CC)CCCN2C(=O)CNC2=O)cc1 ZINC000299433228 528479206 /nfs/dbraw/zinc/47/92/06/528479206.db2.gz VMPASEJXKLGYFP-UHFFFAOYSA-N 1 2 305.378 1.854 20 10 DDCDLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000115741217 696666381 /nfs/dbraw/zinc/66/63/81/696666381.db2.gz QYEDVZNKXVNTEB-INIZCTEOSA-N 1 2 319.449 1.822 20 10 DDCDLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000115741217 696666383 /nfs/dbraw/zinc/66/63/83/696666383.db2.gz QYEDVZNKXVNTEB-INIZCTEOSA-N 1 2 319.449 1.822 20 10 DDCDLO CC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000157849139 696981936 /nfs/dbraw/zinc/98/19/36/696981936.db2.gz UMEMCNWHCXAFOL-UHFFFAOYSA-N 1 2 321.396 1.326 20 10 DDCDLO CN1CCOC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000700195348 699220977 /nfs/dbraw/zinc/22/09/77/699220977.db2.gz VDDLDAGHIUSRJV-LLVKDONJSA-N 1 2 315.211 1.575 20 10 DDCDLO COc1cccc(O)c1C[N@H+](C)CC(=O)NCc1ccco1 ZINC000768193666 701162984 /nfs/dbraw/zinc/16/29/84/701162984.db2.gz IEKBFHHSBROKTA-UHFFFAOYSA-N 1 2 304.346 1.742 20 10 DDCDLO COc1cccc(O)c1C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000768193666 701162986 /nfs/dbraw/zinc/16/29/86/701162986.db2.gz IEKBFHHSBROKTA-UHFFFAOYSA-N 1 2 304.346 1.742 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC000808752076 701535060 /nfs/dbraw/zinc/53/50/60/701535060.db2.gz WSNXHORKADWQBV-YGRLFVJLSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC000808752076 701535061 /nfs/dbraw/zinc/53/50/61/701535061.db2.gz WSNXHORKADWQBV-YGRLFVJLSA-N 1 2 313.781 1.423 20 10 DDCDLO COCCN1CC[N@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840936191 702286257 /nfs/dbraw/zinc/28/62/57/702286257.db2.gz GPMPXXLAAFPFSL-UHFFFAOYSA-N 1 2 305.422 1.352 20 10 DDCDLO COCCN1CC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840936191 702286258 /nfs/dbraw/zinc/28/62/58/702286258.db2.gz GPMPXXLAAFPFSL-UHFFFAOYSA-N 1 2 305.422 1.352 20 10 DDCDLO COc1cccc([C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848559239 703563012 /nfs/dbraw/zinc/56/30/12/703563012.db2.gz CNVWQYDUBZXRQS-SNVBAGLBSA-N 1 2 305.382 1.993 20 10 DDCDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C)c(O)c1O ZINC000874707190 705141126 /nfs/dbraw/zinc/14/11/26/705141126.db2.gz HDJGWDDSHRJUCI-LBPRGKRZSA-N 1 2 308.378 1.247 20 10 DDCDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C)c(O)c1O ZINC000874707190 705141128 /nfs/dbraw/zinc/14/11/28/705141128.db2.gz HDJGWDDSHRJUCI-LBPRGKRZSA-N 1 2 308.378 1.247 20 10 DDCDLO C[C@@H]1C[N@H+](CCNC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875195800 705311886 /nfs/dbraw/zinc/31/18/86/705311886.db2.gz VHBOJBYVJCDOBI-GFCCVEGCSA-N 1 2 305.378 1.138 20 10 DDCDLO C[C@@H]1C[N@@H+](CCNC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875195800 705311892 /nfs/dbraw/zinc/31/18/92/705311892.db2.gz VHBOJBYVJCDOBI-GFCCVEGCSA-N 1 2 305.378 1.138 20 10 DDCDLO Cn1cc(C[N@H+](C)Cc2cc(Br)ccc2O)nn1 ZINC000827304962 705972219 /nfs/dbraw/zinc/97/22/19/705972219.db2.gz KZPCRINTPQAPRP-UHFFFAOYSA-N 1 2 311.183 1.915 20 10 DDCDLO Cn1cc(C[N@@H+](C)Cc2cc(Br)ccc2O)nn1 ZINC000827304962 705972221 /nfs/dbraw/zinc/97/22/21/705972221.db2.gz KZPCRINTPQAPRP-UHFFFAOYSA-N 1 2 311.183 1.915 20 10 DDCDLO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883090061 707922624 /nfs/dbraw/zinc/92/26/24/707922624.db2.gz BDCFTQBPMWLCBG-LLVKDONJSA-N 1 2 300.305 1.991 20 10 DDCDLO CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883160652 707943940 /nfs/dbraw/zinc/94/39/40/707943940.db2.gz WXGVNFYRZAUKAE-CYBMUJFWSA-N 1 2 302.365 1.853 20 10 DDCDLO CC(C)n1c[nH+]cc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000901444626 710042657 /nfs/dbraw/zinc/04/26/57/710042657.db2.gz ZLFTYSZJFTZSBW-GHXNOFRVSA-N 1 2 306.391 1.767 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(O)cc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC000910945485 710126825 /nfs/dbraw/zinc/12/68/25/710126825.db2.gz AQDHGBWCVMPOMI-HUUCEWRRSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(O)cc1O)[N@H+]1CCO[C@H](CC)C1 ZINC000910945485 710126828 /nfs/dbraw/zinc/12/68/28/710126828.db2.gz AQDHGBWCVMPOMI-HUUCEWRRSA-N 1 2 322.405 1.603 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)c(O)c1OC ZINC000892105550 710373372 /nfs/dbraw/zinc/37/33/72/710373372.db2.gz MSEHNTORUVZGAP-UHFFFAOYSA-N 1 2 308.378 1.462 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)c(O)c1OC ZINC000892105550 710373374 /nfs/dbraw/zinc/37/33/74/710373374.db2.gz MSEHNTORUVZGAP-UHFFFAOYSA-N 1 2 308.378 1.462 20 10 DDCDLO CCn1cnc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000902551829 710792165 /nfs/dbraw/zinc/79/21/65/710792165.db2.gz WWLYWRZGXYSYPI-MRXNPFEDSA-N 1 2 315.373 1.593 20 10 DDCDLO CCn1cnc2c1CC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000902551829 710792167 /nfs/dbraw/zinc/79/21/67/710792167.db2.gz WWLYWRZGXYSYPI-MRXNPFEDSA-N 1 2 315.373 1.593 20 10 DDCDLO CCn1c[nH+]c2c1CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000902551829 710792169 /nfs/dbraw/zinc/79/21/69/710792169.db2.gz WWLYWRZGXYSYPI-MRXNPFEDSA-N 1 2 315.373 1.593 20 10 DDCDLO COc1ccc(N2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000929153223 713557594 /nfs/dbraw/zinc/55/75/94/713557594.db2.gz TYBFYYDEBYPMFQ-MRXNPFEDSA-N 1 2 324.446 1.394 20 10 DDCDLO CC(C)NC(=O)CN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837625 751474135 /nfs/dbraw/zinc/47/41/35/751474135.db2.gz OBKWWJHLKAGFQG-UHFFFAOYSA-N 1 2 309.385 1.174 20 10 DDCDLO C[C@]12C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]1CS(=O)(=O)C2 ZINC001184154188 743978231 /nfs/dbraw/zinc/97/82/31/743978231.db2.gz PSMFAJFXWGOFAQ-SMDDNHRTSA-N 1 2 315.822 1.912 20 10 DDCDLO C[C@]12C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]1CS(=O)(=O)C2 ZINC001184154188 743978234 /nfs/dbraw/zinc/97/82/34/743978234.db2.gz PSMFAJFXWGOFAQ-SMDDNHRTSA-N 1 2 315.822 1.912 20 10 DDCDLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464759 746851580 /nfs/dbraw/zinc/85/15/80/746851580.db2.gz ZXDXLKKFVHXPSY-JTQLQIEISA-N 1 2 319.365 1.298 20 10 DDCDLO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1c1ccccc1 ZINC001144509300 772557201 /nfs/dbraw/zinc/55/72/01/772557201.db2.gz SEGQMFQGHUPNFG-UHFFFAOYSA-N 1 2 314.341 1.652 20 10 DDCDLO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCN1c1ccccc1 ZINC001144509300 772557202 /nfs/dbraw/zinc/55/72/02/772557202.db2.gz SEGQMFQGHUPNFG-UHFFFAOYSA-N 1 2 314.341 1.652 20 10 DDCDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001273284085 849330872 /nfs/dbraw/zinc/33/08/72/849330872.db2.gz FDDUYNGIWLOPPL-UHFFFAOYSA-N 1 2 322.380 1.601 20 10 DDCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3cccc(C)c3O)C2)OCC1=O ZINC001273770921 851325569 /nfs/dbraw/zinc/32/55/69/851325569.db2.gz XLAZTJKOQYHWCX-CQSZACIVSA-N 1 2 318.417 1.912 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nnn(C)c21 ZINC001203590340 870656382 /nfs/dbraw/zinc/65/63/82/870656382.db2.gz XFTPXUSLKIFXHW-LBPRGKRZSA-N 1 2 318.377 1.275 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nnn(C)c21 ZINC001203590340 870656391 /nfs/dbraw/zinc/65/63/91/870656391.db2.gz XFTPXUSLKIFXHW-LBPRGKRZSA-N 1 2 318.377 1.275 20 10 DDCDLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC001353595145 877437527 /nfs/dbraw/zinc/43/75/27/877437527.db2.gz UWKHJJMSGVGLDJ-UWVGGRQHSA-N 1 2 320.158 1.221 20 10 DDCDLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC001353595145 877437528 /nfs/dbraw/zinc/43/75/28/877437528.db2.gz UWKHJJMSGVGLDJ-UWVGGRQHSA-N 1 2 320.158 1.221 20 10 DDCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1)C1CCC1 ZINC001233014629 886727074 /nfs/dbraw/zinc/72/70/74/886727074.db2.gz AMEXEIBIVKSJDE-CYBMUJFWSA-N 1 2 320.389 1.684 20 10 DDCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1)C1CCC1 ZINC001233014629 886727085 /nfs/dbraw/zinc/72/70/85/886727085.db2.gz AMEXEIBIVKSJDE-CYBMUJFWSA-N 1 2 320.389 1.684 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCCO1 ZINC001233336075 886931269 /nfs/dbraw/zinc/93/12/69/886931269.db2.gz XOZDIRKOKKSFNX-LBPRGKRZSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CCCO1 ZINC001233336075 886931285 /nfs/dbraw/zinc/93/12/85/886931285.db2.gz XOZDIRKOKKSFNX-LBPRGKRZSA-N 1 2 301.289 1.434 20 10 DDCDLO OCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233416832 886985609 /nfs/dbraw/zinc/98/56/09/886985609.db2.gz YCDOSMWAEIUBER-UHFFFAOYSA-N 1 2 318.339 1.911 20 10 DDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235300714 888538218 /nfs/dbraw/zinc/53/82/18/888538218.db2.gz BEACFOQAYLRXKN-UHFFFAOYSA-N 1 2 319.174 1.814 20 10 DDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235300714 888538226 /nfs/dbraw/zinc/53/82/26/888538226.db2.gz BEACFOQAYLRXKN-UHFFFAOYSA-N 1 2 319.174 1.814 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1Cl ZINC001236801654 889365910 /nfs/dbraw/zinc/36/59/10/889365910.db2.gz KPBAHQAFEZAUAY-WFASDCNBSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1Cl ZINC001236801654 889365921 /nfs/dbraw/zinc/36/59/21/889365921.db2.gz KPBAHQAFEZAUAY-WFASDCNBSA-N 1 2 315.797 1.619 20 10 DDCDLO C[N@H+](CCN1CCOCC1)Cc1c(O)ccc(F)c1Cl ZINC001237119253 889509114 /nfs/dbraw/zinc/50/91/14/889509114.db2.gz CNXRIWQSUPZWNC-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO C[N@@H+](CCN1CCOCC1)Cc1c(O)ccc(F)c1Cl ZINC001237119253 889509120 /nfs/dbraw/zinc/50/91/20/889509120.db2.gz CNXRIWQSUPZWNC-UHFFFAOYSA-N 1 2 302.777 1.949 20 10 DDCDLO C[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237616437 889759636 /nfs/dbraw/zinc/75/96/36/889759636.db2.gz CSRFOZTYMYZDSH-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237616437 889759639 /nfs/dbraw/zinc/75/96/39/889759639.db2.gz CSRFOZTYMYZDSH-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(OC)cc(OC)c1O ZINC001237670647 889793864 /nfs/dbraw/zinc/79/38/64/889793864.db2.gz VEKUKFZCAZPITP-PXAZEXFGSA-N 1 2 321.373 1.937 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(OC)cc(OC)c1O ZINC001237670647 889793876 /nfs/dbraw/zinc/79/38/76/889793876.db2.gz VEKUKFZCAZPITP-PXAZEXFGSA-N 1 2 321.373 1.937 20 10 DDCDLO CC(=O)NC1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244874 893890075 /nfs/dbraw/zinc/89/00/75/893890075.db2.gz PMTFNFMLOCQJNN-UHFFFAOYSA-N 1 2 302.374 1.897 20 10 DDCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1[nH]cc[nH+]1 ZINC000114338520 407560916 /nfs/dbraw/zinc/56/09/16/407560916.db2.gz WQMFCPNTTLYEMJ-ZZXKWVIFSA-N 1 2 312.373 1.576 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000126072615 407404002 /nfs/dbraw/zinc/40/40/02/407404002.db2.gz MNBBGDQDQJMTFF-LXGOIASLSA-N 1 2 301.383 1.933 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000126072615 407404004 /nfs/dbraw/zinc/40/40/04/407404004.db2.gz MNBBGDQDQJMTFF-LXGOIASLSA-N 1 2 301.383 1.933 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000187570532 407869635 /nfs/dbraw/zinc/86/96/35/407869635.db2.gz ARSWSCYPKVWIEO-IAGOWNOFSA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000187570532 407869642 /nfs/dbraw/zinc/86/96/42/407869642.db2.gz ARSWSCYPKVWIEO-IAGOWNOFSA-N 1 2 318.417 1.785 20 10 DDCDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278261099 409078084 /nfs/dbraw/zinc/07/80/84/409078084.db2.gz QJYQJYGVRHVXMX-GFCCVEGCSA-N 1 2 323.349 1.410 20 10 DDCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278261099 409078085 /nfs/dbraw/zinc/07/80/85/409078085.db2.gz QJYQJYGVRHVXMX-GFCCVEGCSA-N 1 2 323.349 1.410 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278334801 409078529 /nfs/dbraw/zinc/07/85/29/409078529.db2.gz ZRGBSNAIOPRSCK-UHFFFAOYSA-N 1 2 324.333 1.837 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278334801 409078531 /nfs/dbraw/zinc/07/85/31/409078531.db2.gz ZRGBSNAIOPRSCK-UHFFFAOYSA-N 1 2 324.333 1.837 20 10 DDCDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295233652 409388916 /nfs/dbraw/zinc/38/89/16/409388916.db2.gz DDWMAXAAWIPYLA-VIFPVBQESA-N 1 2 322.789 1.308 20 10 DDCDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295233652 409388920 /nfs/dbraw/zinc/38/89/20/409388920.db2.gz DDWMAXAAWIPYLA-VIFPVBQESA-N 1 2 322.789 1.308 20 10 DDCDLO COC1CCN(c2ccc(C[N@H+]3CC(=O)N[C@H](C)C3)cc2)CC1 ZINC000296122676 409436314 /nfs/dbraw/zinc/43/63/14/409436314.db2.gz HVNGDGONCMXGHX-CQSZACIVSA-N 1 2 317.433 1.622 20 10 DDCDLO COC1CCN(c2ccc(C[N@@H+]3CC(=O)N[C@H](C)C3)cc2)CC1 ZINC000296122676 409436319 /nfs/dbraw/zinc/43/63/19/409436319.db2.gz HVNGDGONCMXGHX-CQSZACIVSA-N 1 2 317.433 1.622 20 10 DDCDLO NC(=O)C1([NH+]2CCN(Cc3cccc(F)c3O)CC2)CCCC1 ZINC000374911451 418577480 /nfs/dbraw/zinc/57/74/80/418577480.db2.gz MPBJSUWZYPEORG-UHFFFAOYSA-N 1 2 321.396 1.447 20 10 DDCDLO NC(=O)C1(N2CC[NH+](Cc3cccc(F)c3O)CC2)CCCC1 ZINC000374911451 418577484 /nfs/dbraw/zinc/57/74/84/418577484.db2.gz MPBJSUWZYPEORG-UHFFFAOYSA-N 1 2 321.396 1.447 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000376830563 418701819 /nfs/dbraw/zinc/70/18/19/418701819.db2.gz DQPZDVWDYPBQJY-SNVBAGLBSA-N 1 2 304.799 1.169 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000376830563 418701822 /nfs/dbraw/zinc/70/18/22/418701822.db2.gz DQPZDVWDYPBQJY-SNVBAGLBSA-N 1 2 304.799 1.169 20 10 DDCDLO C[C@@H]1OCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000178591399 278053159 /nfs/dbraw/zinc/05/31/59/278053159.db2.gz SBKITRQVGAQIAC-GJZGRUSLSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@@H]1OCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000178591399 278053160 /nfs/dbraw/zinc/05/31/60/278053160.db2.gz SBKITRQVGAQIAC-GJZGRUSLSA-N 1 2 319.449 1.820 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC000548420344 341259599 /nfs/dbraw/zinc/25/95/99/341259599.db2.gz LFGZOQONASRPAN-UHFFFAOYSA-N 1 2 300.362 1.834 20 10 DDCDLO CN(C)c1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1F ZINC000058482933 696304106 /nfs/dbraw/zinc/30/41/06/696304106.db2.gz ALKQKBHBAIXRNR-UHFFFAOYSA-N 1 2 305.357 1.588 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1cc(Br)ccc1O ZINC000787032828 699186526 /nfs/dbraw/zinc/18/65/26/699186526.db2.gz RYUGDNJLWNHEJT-SSDOTTSWSA-N 1 2 312.171 1.529 20 10 DDCDLO NC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715720362 699276543 /nfs/dbraw/zinc/27/65/43/699276543.db2.gz XESNCVXTUUEXEV-ZETCQYMHSA-N 1 2 317.158 1.601 20 10 DDCDLO NC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715720362 699276545 /nfs/dbraw/zinc/27/65/45/699276545.db2.gz XESNCVXTUUEXEV-ZETCQYMHSA-N 1 2 317.158 1.601 20 10 DDCDLO C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458384 700622666 /nfs/dbraw/zinc/62/26/66/700622666.db2.gz MKHBLNXAXIRGGV-JQWIXIFHSA-N 1 2 300.349 1.778 20 10 DDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768464528 701180010 /nfs/dbraw/zinc/18/00/10/701180010.db2.gz SWDQDFCZUXWYCS-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768464528 701180012 /nfs/dbraw/zinc/18/00/12/701180012.db2.gz SWDQDFCZUXWYCS-ZDUSSCGKSA-N 1 2 309.362 1.473 20 10 DDCDLO CC(=O)C(=O)COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000808520656 701521546 /nfs/dbraw/zinc/52/15/46/701521546.db2.gz WAFXSUPKIIBDGB-CQSZACIVSA-N 1 2 321.348 1.739 20 10 DDCDLO CC(=O)C(=O)COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000808520656 701521548 /nfs/dbraw/zinc/52/15/48/701521548.db2.gz WAFXSUPKIIBDGB-CQSZACIVSA-N 1 2 321.348 1.739 20 10 DDCDLO CC(=O)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000808543389 701523044 /nfs/dbraw/zinc/52/30/44/701523044.db2.gz GVNUHNNTVHRUNN-UHFFFAOYSA-N 1 2 317.257 1.095 20 10 DDCDLO O[C@@H](CNc1ccccc1OCC1CC1)C[NH+]1CCOCC1 ZINC000819451186 704127635 /nfs/dbraw/zinc/12/76/35/704127635.db2.gz LMHHGAHHYSRNDM-HNNXBMFYSA-N 1 2 306.406 1.580 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cncc(OC)n3)CC2)cc1 ZINC000859056548 704791994 /nfs/dbraw/zinc/79/19/94/704791994.db2.gz YYCIGWADBVNUEJ-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862293336 705694456 /nfs/dbraw/zinc/69/44/56/705694456.db2.gz RXPXPFUQJWGPPQ-UHFFFAOYSA-N 1 2 314.380 1.734 20 10 DDCDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862293336 705694459 /nfs/dbraw/zinc/69/44/59/705694459.db2.gz RXPXPFUQJWGPPQ-UHFFFAOYSA-N 1 2 314.380 1.734 20 10 DDCDLO C[C@]12C[NH+](Cc3cccc(Cl)c3O)C[C@]1(C)C(=O)NC2=O ZINC000877669002 706175563 /nfs/dbraw/zinc/17/55/63/706175563.db2.gz XKSCTBKHEJEPBD-HUUCEWRRSA-N 1 2 308.765 1.530 20 10 DDCDLO CC[C@H](CO)Nc1cc(NCc2cccc(OC)c2O)[nH+]cn1 ZINC000892289001 710410515 /nfs/dbraw/zinc/41/05/15/710410515.db2.gz ZWYLYAPEVVPLMM-GFCCVEGCSA-N 1 2 318.377 1.986 20 10 DDCDLO CC[C@H](CO)Nc1cc(NCc2cccc(OC)c2O)nc[nH+]1 ZINC000892289001 710410516 /nfs/dbraw/zinc/41/05/16/710410516.db2.gz ZWYLYAPEVVPLMM-GFCCVEGCSA-N 1 2 318.377 1.986 20 10 DDCDLO NC(=O)C1([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000894454574 711129073 /nfs/dbraw/zinc/12/90/73/711129073.db2.gz ROBCWCLPGMETAO-UHFFFAOYSA-N 1 2 303.131 1.401 20 10 DDCDLO CCOc1cccc(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c1O ZINC001203614085 744200630 /nfs/dbraw/zinc/20/06/30/744200630.db2.gz NVCCMWQPOPBBDQ-CQSZACIVSA-N 1 2 306.406 1.696 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nnn(C)c21 ZINC001203621906 744265673 /nfs/dbraw/zinc/26/56/73/744265673.db2.gz JTTUGQPVRVSRGC-GFCCVEGCSA-N 1 2 318.377 1.275 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nnn(C)c21 ZINC001203621906 744265676 /nfs/dbraw/zinc/26/56/76/744265676.db2.gz JTTUGQPVRVSRGC-GFCCVEGCSA-N 1 2 318.377 1.275 20 10 DDCDLO NC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC001199208991 747742806 /nfs/dbraw/zinc/74/28/06/747742806.db2.gz VJIAFJKPKATEFT-UHFFFAOYSA-N 1 2 316.760 1.556 20 10 DDCDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515476 772558328 /nfs/dbraw/zinc/55/83/28/772558328.db2.gz PWDJKLLUDPZCSE-NSHDSACASA-N 1 2 313.375 1.284 20 10 DDCDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515476 772558331 /nfs/dbraw/zinc/55/83/31/772558331.db2.gz PWDJKLLUDPZCSE-NSHDSACASA-N 1 2 313.375 1.284 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140437 860793665 /nfs/dbraw/zinc/79/36/65/860793665.db2.gz MCSLZWUMSJPXLW-MRXNPFEDSA-N 1 2 308.353 1.602 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140437 860793666 /nfs/dbraw/zinc/79/36/66/860793666.db2.gz MCSLZWUMSJPXLW-MRXNPFEDSA-N 1 2 308.353 1.602 20 10 DDCDLO Oc1cccc(Br)c1C[NH2+]Cc1nnnn1C1CC1 ZINC001329009214 863416807 /nfs/dbraw/zinc/41/68/07/863416807.db2.gz RAMLWJNMLRNJMZ-UHFFFAOYSA-N 1 2 324.182 1.766 20 10 DDCDLO COc1cccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c1O ZINC001203595976 870658819 /nfs/dbraw/zinc/65/88/19/870658819.db2.gz VWGDHBJNGJFZDI-UHFFFAOYSA-N 1 2 304.390 1.988 20 10 DDCDLO COc1cccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c1O ZINC001203595976 870658825 /nfs/dbraw/zinc/65/88/25/870658825.db2.gz VWGDHBJNGJFZDI-UHFFFAOYSA-N 1 2 304.390 1.988 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1cccc(OC)c1O ZINC001203602132 870664579 /nfs/dbraw/zinc/66/45/79/870664579.db2.gz CGXLHBMSSKFJNB-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1cccc(OC)c1O ZINC001203602132 870664583 /nfs/dbraw/zinc/66/45/83/870664583.db2.gz CGXLHBMSSKFJNB-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878872 870813702 /nfs/dbraw/zinc/81/37/02/870813702.db2.gz WRBNEVMISYJHCC-AWEZNQCLSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878872 870813721 /nfs/dbraw/zinc/81/37/21/870813721.db2.gz WRBNEVMISYJHCC-AWEZNQCLSA-N 1 2 317.389 1.967 20 10 DDCDLO COc1cc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)ncn1 ZINC001203881904 870815401 /nfs/dbraw/zinc/81/54/01/870815401.db2.gz XOHXEKFKBISPNZ-UHFFFAOYSA-N 1 2 316.361 1.219 20 10 DDCDLO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203880728 870816234 /nfs/dbraw/zinc/81/62/34/870816234.db2.gz XLBKWOCWRSXECK-LBPRGKRZSA-N 1 2 307.346 1.109 20 10 DDCDLO COC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC001204104418 870938854 /nfs/dbraw/zinc/93/88/54/870938854.db2.gz RABAQLKQRLMGEE-CQSZACIVSA-N 1 2 317.744 1.854 20 10 DDCDLO CN(C)C(=O)c1n[nH]c2c1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277191799 882924291 /nfs/dbraw/zinc/92/42/91/882924291.db2.gz HKHJBVFXAFNJOG-UHFFFAOYSA-N 1 2 316.361 1.081 20 10 DDCDLO CN(C)C(=O)c1n[nH]c2c1CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001277191799 882924302 /nfs/dbraw/zinc/92/43/02/882924302.db2.gz HKHJBVFXAFNJOG-UHFFFAOYSA-N 1 2 316.361 1.081 20 10 DDCDLO CN1CCCc2cc(C[NH+]3CC4(C3)CC[C@H](C(N)=O)O4)ccc21 ZINC001277254409 883241452 /nfs/dbraw/zinc/24/14/52/883241452.db2.gz RRXXMYZYDDWDQE-MRXNPFEDSA-N 1 2 315.417 1.288 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N(C)C3COC3)C2)cc1Cl ZINC001232270196 886202725 /nfs/dbraw/zinc/20/27/25/886202725.db2.gz XXDQHJYNJCQJNI-UHFFFAOYSA-N 1 2 312.797 1.569 20 10 DDCDLO CCOC(=O)c1nc[nH]c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232917121 886668429 /nfs/dbraw/zinc/66/84/29/886668429.db2.gz NOOOZPKADKYRRK-UHFFFAOYSA-N 1 2 301.346 1.850 20 10 DDCDLO CCOC(=O)c1nc[nH]c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232917121 886668439 /nfs/dbraw/zinc/66/84/39/886668439.db2.gz NOOOZPKADKYRRK-UHFFFAOYSA-N 1 2 301.346 1.850 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(C)(CO)C2)c(Br)c1 ZINC001237064253 889489259 /nfs/dbraw/zinc/48/92/59/889489259.db2.gz YSJYQLNYVPUNHR-UHFFFAOYSA-N 1 2 316.195 1.978 20 10 DDCDLO Oc1c(I)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC001237782705 889841587 /nfs/dbraw/zinc/84/15/87/889841587.db2.gz GJRAEJROOIUFKO-SECBINFHSA-N 1 2 319.142 1.563 20 10 DDCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001237782705 889841601 /nfs/dbraw/zinc/84/16/01/889841601.db2.gz GJRAEJROOIUFKO-SECBINFHSA-N 1 2 319.142 1.563 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1F ZINC000092006501 193140200 /nfs/dbraw/zinc/14/02/00/193140200.db2.gz XSZSCYLLVYVNAD-WBMJQRKESA-N 1 2 323.412 1.747 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1F ZINC000092006501 193140202 /nfs/dbraw/zinc/14/02/02/193140202.db2.gz XSZSCYLLVYVNAD-WBMJQRKESA-N 1 2 323.412 1.747 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276558066 408882864 /nfs/dbraw/zinc/88/28/64/408882864.db2.gz GCEWILPMADSUFM-VHSXEESVSA-N 1 2 304.350 1.719 20 10 DDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292736133 409041491 /nfs/dbraw/zinc/04/14/91/409041491.db2.gz GUXMRMLAMNROBT-NSHDSACASA-N 1 2 318.826 1.511 20 10 DDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292736133 409041493 /nfs/dbraw/zinc/04/14/93/409041493.db2.gz GUXMRMLAMNROBT-NSHDSACASA-N 1 2 318.826 1.511 20 10 DDCDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000282839886 409065118 /nfs/dbraw/zinc/06/51/18/409065118.db2.gz ZYYKGIQOJYJPPD-UHFFFAOYSA-N 1 2 305.338 1.937 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278304989 409079065 /nfs/dbraw/zinc/07/90/65/409079065.db2.gz WGRSQDWIXRJQER-UHFFFAOYSA-N 1 2 306.322 1.675 20 10 DDCDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)[S@]1=O ZINC000289907230 409289492 /nfs/dbraw/zinc/28/94/92/409289492.db2.gz XASUILFOXJHDKQ-NNJUXLKUSA-N 1 2 311.403 1.852 20 10 DDCDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)[S@]1=O ZINC000289907230 409289494 /nfs/dbraw/zinc/28/94/94/409289494.db2.gz XASUILFOXJHDKQ-NNJUXLKUSA-N 1 2 311.403 1.852 20 10 DDCDLO O=C(NCC[NH+]1CCSCC1)c1c(F)ccc(O)c1O ZINC000295376982 409456966 /nfs/dbraw/zinc/45/69/66/409456966.db2.gz XDPBJXVRFMPYIY-UHFFFAOYSA-N 1 2 300.355 1.016 20 10 DDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352125880 410497881 /nfs/dbraw/zinc/49/78/81/410497881.db2.gz NJAWUOFNZKJRMU-QGZVFWFLSA-N 1 2 315.417 1.824 20 10 DDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352125880 410497887 /nfs/dbraw/zinc/49/78/87/410497887.db2.gz NJAWUOFNZKJRMU-QGZVFWFLSA-N 1 2 315.417 1.824 20 10 DDCDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000194805075 222184787 /nfs/dbraw/zinc/18/47/87/222184787.db2.gz XZKCKRPEQFGODS-CQSZACIVSA-N 1 2 308.353 1.834 20 10 DDCDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000194805075 222184790 /nfs/dbraw/zinc/18/47/90/222184790.db2.gz XZKCKRPEQFGODS-CQSZACIVSA-N 1 2 308.353 1.834 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC(O)(C3CC3)C2)cc1 ZINC000375518648 418653787 /nfs/dbraw/zinc/65/37/87/418653787.db2.gz DZKHUZFVKLTCTN-UHFFFAOYSA-N 1 2 317.433 1.168 20 10 DDCDLO O=C1NCCCC[C@@H]1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000376163988 418693220 /nfs/dbraw/zinc/69/32/20/418693220.db2.gz DNFBUYNAFOEIBQ-HNNXBMFYSA-N 1 2 321.396 1.318 20 10 DDCDLO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000376163988 418693221 /nfs/dbraw/zinc/69/32/21/418693221.db2.gz DNFBUYNAFOEIBQ-HNNXBMFYSA-N 1 2 321.396 1.318 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)c1 ZINC000370365085 418743103 /nfs/dbraw/zinc/74/31/03/418743103.db2.gz DBEJLZOLHJCBOJ-HIFRSBDPSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)c1 ZINC000370365085 418743104 /nfs/dbraw/zinc/74/31/04/418743104.db2.gz DBEJLZOLHJCBOJ-HIFRSBDPSA-N 1 2 323.389 1.943 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368963251 418726911 /nfs/dbraw/zinc/72/69/11/418726911.db2.gz ADEQFUFNNQWBOV-ZBINZKHDSA-N 1 2 320.364 1.820 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368963251 418726913 /nfs/dbraw/zinc/72/69/13/418726913.db2.gz ADEQFUFNNQWBOV-ZBINZKHDSA-N 1 2 320.364 1.820 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000156300857 522203621 /nfs/dbraw/zinc/20/36/21/522203621.db2.gz LUJPRMUOBVBWPL-ZDUSSCGKSA-N 1 2 316.380 1.967 20 10 DDCDLO Cc1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c(O)c1O ZINC000267597033 526184502 /nfs/dbraw/zinc/18/45/02/526184502.db2.gz OMUZVOYYOWKRJR-UHFFFAOYSA-N 1 2 301.346 1.797 20 10 DDCDLO COC[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715787641 699277002 /nfs/dbraw/zinc/27/70/02/699277002.db2.gz FYIREMUBKVHIQW-SECBINFHSA-N 1 2 308.147 1.391 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c1 ZINC000809772907 701688741 /nfs/dbraw/zinc/68/87/41/701688741.db2.gz DFEWXBFTGFPKCV-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c1 ZINC000809772907 701688742 /nfs/dbraw/zinc/68/87/42/701688742.db2.gz DFEWXBFTGFPKCV-ZDUSSCGKSA-N 1 2 309.362 1.555 20 10 DDCDLO CCN(CC)C(=O)N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768295069 701167116 /nfs/dbraw/zinc/16/71/16/701167116.db2.gz HGFPZKCULUCEDX-UHFFFAOYSA-N 1 2 321.421 1.980 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCCC3)C1)[C@@H](O)CO2 ZINC000768451311 701178356 /nfs/dbraw/zinc/17/83/56/701178356.db2.gz MOTOJWXSJLFDBZ-BBRMVZONSA-N 1 2 304.390 1.488 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CC[C@H](N3CCCC3)C1)[C@@H](O)CO2 ZINC000768451311 701178358 /nfs/dbraw/zinc/17/83/58/701178358.db2.gz MOTOJWXSJLFDBZ-BBRMVZONSA-N 1 2 304.390 1.488 20 10 DDCDLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806168718 701428728 /nfs/dbraw/zinc/42/87/28/701428728.db2.gz YFHNWRSNPZHLIP-GFCCVEGCSA-N 1 2 319.384 1.642 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844136920 702976443 /nfs/dbraw/zinc/97/64/43/702976443.db2.gz HJWVMMZFLGFZNJ-GFCCVEGCSA-N 1 2 301.346 1.216 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC(CO)(CO)C2)c1O ZINC000852630611 704087642 /nfs/dbraw/zinc/08/76/42/704087642.db2.gz WMHBMPLXGAJLJX-UHFFFAOYSA-N 1 2 313.781 1.425 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC(CO)(CO)C2)c1O ZINC000852630611 704087643 /nfs/dbraw/zinc/08/76/43/704087643.db2.gz WMHBMPLXGAJLJX-UHFFFAOYSA-N 1 2 313.781 1.425 20 10 DDCDLO CNS(=O)(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000856732041 704535856 /nfs/dbraw/zinc/53/58/56/704535856.db2.gz ZSDLVAFBVLLHRV-UHFFFAOYSA-N 1 2 324.402 1.537 20 10 DDCDLO CNS(=O)(=O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000856732041 704535857 /nfs/dbraw/zinc/53/58/57/704535857.db2.gz ZSDLVAFBVLLHRV-UHFFFAOYSA-N 1 2 324.402 1.537 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000859490055 704916110 /nfs/dbraw/zinc/91/61/10/704916110.db2.gz VSOONLJZIZCLIV-OAHLLOKOSA-N 1 2 320.437 1.191 20 10 DDCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000859490055 704916113 /nfs/dbraw/zinc/91/61/13/704916113.db2.gz VSOONLJZIZCLIV-OAHLLOKOSA-N 1 2 320.437 1.191 20 10 DDCDLO O=C(NCCCSc1nccs1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875375257 705368741 /nfs/dbraw/zinc/36/87/41/705368741.db2.gz ZAORENPLOIOOKF-SNVBAGLBSA-N 1 2 323.447 1.746 20 10 DDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834879647 707145711 /nfs/dbraw/zinc/14/57/11/707145711.db2.gz ULVMXYSQDOOZEN-PSASIEDQSA-N 1 2 322.377 1.649 20 10 DDCDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877593035 706152661 /nfs/dbraw/zinc/15/26/61/706152661.db2.gz MZSGSGWQRLHKRV-QWRGUYRKSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877593035 706152664 /nfs/dbraw/zinc/15/26/64/706152664.db2.gz MZSGSGWQRLHKRV-QWRGUYRKSA-N 1 2 300.349 1.557 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865904745 706558744 /nfs/dbraw/zinc/55/87/44/706558744.db2.gz RQTLHZHRPUTUOL-SNAWJCMRSA-N 1 2 317.433 1.566 20 10 DDCDLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000882084721 707491353 /nfs/dbraw/zinc/49/13/53/707491353.db2.gz PVHYGPXTEJRSST-ZDUSSCGKSA-N 1 2 322.434 1.630 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090010 711405075 /nfs/dbraw/zinc/40/50/75/711405075.db2.gz QSYDEALYKVODEZ-KOLCDFICSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090010 711405078 /nfs/dbraw/zinc/40/50/78/711405078.db2.gz QSYDEALYKVODEZ-KOLCDFICSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895358755 711493543 /nfs/dbraw/zinc/49/35/43/711493543.db2.gz AOJOEOBJMHBROA-UHFFFAOYSA-N 1 2 300.305 1.991 20 10 DDCDLO CO[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000895962491 711656667 /nfs/dbraw/zinc/65/66/67/711656667.db2.gz IUEXODGSMHFKAZ-QGZVFWFLSA-N 1 2 306.406 1.452 20 10 DDCDLO CO[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000895962491 711656668 /nfs/dbraw/zinc/65/66/68/711656668.db2.gz IUEXODGSMHFKAZ-QGZVFWFLSA-N 1 2 306.406 1.452 20 10 DDCDLO CCOC(=O)C[N@H+](CCc1nnc(C)o1)Cc1ccccc1O ZINC000930763473 713914329 /nfs/dbraw/zinc/91/43/29/713914329.db2.gz LAFHYLSHVBBQCU-UHFFFAOYSA-N 1 2 319.361 1.691 20 10 DDCDLO CCOC(=O)C[N@@H+](CCc1nnc(C)o1)Cc1ccccc1O ZINC000930763473 713914330 /nfs/dbraw/zinc/91/43/30/713914330.db2.gz LAFHYLSHVBBQCU-UHFFFAOYSA-N 1 2 319.361 1.691 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001180128341 779632898 /nfs/dbraw/zinc/63/28/98/779632898.db2.gz KIQFSJKYNLWGFR-YXMGTMDOSA-N 1 2 303.406 1.213 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001180128341 779632901 /nfs/dbraw/zinc/63/29/01/779632901.db2.gz KIQFSJKYNLWGFR-YXMGTMDOSA-N 1 2 303.406 1.213 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1 ZINC001116348149 780499152 /nfs/dbraw/zinc/49/91/52/780499152.db2.gz OZRBQJMJBNWUHE-UHFFFAOYSA-N 1 2 319.449 1.980 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3nccnc3N)CC2)c(C)c1 ZINC001140014783 860549206 /nfs/dbraw/zinc/54/92/06/860549206.db2.gz UOIYHFVJNZQUHP-UHFFFAOYSA-N 1 2 313.405 1.698 20 10 DDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141645410 860902038 /nfs/dbraw/zinc/90/20/38/860902038.db2.gz BLNONQGICMPOAB-JTQLQIEISA-N 1 2 300.322 1.864 20 10 DDCDLO Cc1cnc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)nc1 ZINC001203883678 870818208 /nfs/dbraw/zinc/81/82/08/870818208.db2.gz LMDRYZDRDQRGNR-UHFFFAOYSA-N 1 2 300.362 1.518 20 10 DDCDLO COc1cc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)ccn1 ZINC001203884807 870818343 /nfs/dbraw/zinc/81/83/43/870818343.db2.gz ZKJHOVJPNXZIMX-UHFFFAOYSA-N 1 2 315.373 1.824 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001207084106 872998914 /nfs/dbraw/zinc/99/89/14/872998914.db2.gz ZUSXOUGHTBNSCR-UHFFFAOYSA-N 1 2 324.331 1.972 20 10 DDCDLO COCC1(O)C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001347396286 874124235 /nfs/dbraw/zinc/12/42/35/874124235.db2.gz VOCKVKRPYZMDSK-UHFFFAOYSA-N 1 2 309.406 1.891 20 10 DDCDLO O=C(Nc1nnco1)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277484810 885196391 /nfs/dbraw/zinc/19/63/91/885196391.db2.gz UCLVPBYXEDZIIQ-SNVBAGLBSA-N 1 2 318.308 1.375 20 10 DDCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486137 887017016 /nfs/dbraw/zinc/01/70/16/887017016.db2.gz ZTJIWHFZDPRKRU-ZYHUDNBSSA-N 1 2 309.362 1.967 20 10 DDCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233486137 887017027 /nfs/dbraw/zinc/01/70/27/887017027.db2.gz ZTJIWHFZDPRKRU-ZYHUDNBSSA-N 1 2 309.362 1.967 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)cc1O ZINC001233485541 887019348 /nfs/dbraw/zinc/01/93/48/887019348.db2.gz AGNWBQCEHHKYJI-MRXNPFEDSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccn3)C2)cc1O ZINC001233485541 887019355 /nfs/dbraw/zinc/01/93/55/887019355.db2.gz AGNWBQCEHHKYJI-MRXNPFEDSA-N 1 2 302.330 1.772 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233727125 887255415 /nfs/dbraw/zinc/25/54/15/887255415.db2.gz IXPCWHLURJXKJM-SNVBAGLBSA-N 1 2 307.268 1.484 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233727125 887255431 /nfs/dbraw/zinc/25/54/31/887255431.db2.gz IXPCWHLURJXKJM-SNVBAGLBSA-N 1 2 307.268 1.484 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052285 888369236 /nfs/dbraw/zinc/36/92/36/888369236.db2.gz OEINSKLXOZYPKG-AWEZNQCLSA-N 1 2 316.232 1.836 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)CC1 ZINC001235159317 888446428 /nfs/dbraw/zinc/44/64/28/888446428.db2.gz IGNMSTPUEOEHCV-FUHWJXTLSA-N 1 2 300.450 1.362 20 10 DDCDLO O=S1(=O)CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256392547 897417489 /nfs/dbraw/zinc/41/74/89/897417489.db2.gz VFRSMZQDSYEEKK-UHFFFAOYSA-N 1 2 311.403 1.423 20 10 DDCDLO O=S1(=O)CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256392547 897417497 /nfs/dbraw/zinc/41/74/97/897417497.db2.gz VFRSMZQDSYEEKK-UHFFFAOYSA-N 1 2 311.403 1.423 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)c1O ZINC001262112527 899949751 /nfs/dbraw/zinc/94/97/51/899949751.db2.gz LVTKRHZSBSCVJE-UHFFFAOYSA-N 1 2 317.393 1.227 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c1O ZINC001262112527 899949755 /nfs/dbraw/zinc/94/97/55/899949755.db2.gz LVTKRHZSBSCVJE-UHFFFAOYSA-N 1 2 317.393 1.227 20 10 DDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC001262111033 899950824 /nfs/dbraw/zinc/95/08/24/899950824.db2.gz UWKHJJMSGVGLDJ-VHSXEESVSA-N 1 2 320.158 1.221 20 10 DDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC001262111033 899950831 /nfs/dbraw/zinc/95/08/31/899950831.db2.gz UWKHJJMSGVGLDJ-VHSXEESVSA-N 1 2 320.158 1.221 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000007359615 352123099 /nfs/dbraw/zinc/12/30/99/352123099.db2.gz OQVXSQPHGHDGNT-CYBMUJFWSA-N 1 2 303.406 1.484 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)[C@@H](C(=O)OC)C1 ZINC000272559798 130040623 /nfs/dbraw/zinc/04/06/23/130040623.db2.gz SYTOSDSAPSTIFD-TZMCWYRMSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)[C@@H](C(=O)OC)C1 ZINC000272559798 130040624 /nfs/dbraw/zinc/04/06/24/130040624.db2.gz SYTOSDSAPSTIFD-TZMCWYRMSA-N 1 2 321.373 1.627 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000275049571 130287687 /nfs/dbraw/zinc/28/76/87/130287687.db2.gz ZYJUQUNNZYJEHD-UHFFFAOYSA-N 1 2 317.320 1.376 20 10 DDCDLO COCC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000290568420 409446539 /nfs/dbraw/zinc/44/65/39/409446539.db2.gz SWRSINVOPNNQJN-ZDUSSCGKSA-N 1 2 317.382 1.167 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000374951932 418582378 /nfs/dbraw/zinc/58/23/78/418582378.db2.gz LJUOIESFZVCAAJ-WCQYABFASA-N 1 2 315.373 1.604 20 10 DDCDLO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273411894 289942758 /nfs/dbraw/zinc/94/27/58/289942758.db2.gz PWCYMCLDLNUDOX-ZETCQYMHSA-N 1 2 321.255 1.630 20 10 DDCDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccccc1O ZINC000109769955 696638207 /nfs/dbraw/zinc/63/82/07/696638207.db2.gz IFOSKKLLZLCPSS-SNVBAGLBSA-N 1 2 302.382 1.418 20 10 DDCDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccccc1O ZINC000109769955 696638209 /nfs/dbraw/zinc/63/82/09/696638209.db2.gz IFOSKKLLZLCPSS-SNVBAGLBSA-N 1 2 302.382 1.418 20 10 DDCDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125931505 696757457 /nfs/dbraw/zinc/75/74/57/696757457.db2.gz TXQDKLPEPUSLEJ-LLVKDONJSA-N 1 2 302.415 1.757 20 10 DDCDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125931505 696757454 /nfs/dbraw/zinc/75/74/54/696757454.db2.gz TXQDKLPEPUSLEJ-LLVKDONJSA-N 1 2 302.415 1.757 20 10 DDCDLO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000777220818 698174577 /nfs/dbraw/zinc/17/45/77/698174577.db2.gz UXEQEWDAPRMJOB-UONOGXRCSA-N 1 2 315.797 1.956 20 10 DDCDLO OC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708188912 699249152 /nfs/dbraw/zinc/24/91/52/699249152.db2.gz CWPPIWDFRRGESO-QMMMGPOBSA-N 1 2 310.575 1.251 20 10 DDCDLO CC[N@@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715714087 699276233 /nfs/dbraw/zinc/27/62/33/699276233.db2.gz VJQYDMSSIQGWCG-UHFFFAOYSA-N 1 2 305.147 1.601 20 10 DDCDLO CC[N@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715714087 699276232 /nfs/dbraw/zinc/27/62/32/699276232.db2.gz VJQYDMSSIQGWCG-UHFFFAOYSA-N 1 2 305.147 1.601 20 10 DDCDLO O=C1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CN1 ZINC000715778367 699276565 /nfs/dbraw/zinc/27/65/65/699276565.db2.gz KWJPGSHNMIMTBU-ZETCQYMHSA-N 1 2 317.158 1.520 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000769466487 701245850 /nfs/dbraw/zinc/24/58/50/701245850.db2.gz KCYPICDHAXACTO-OAHLLOKOSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000769466487 701245853 /nfs/dbraw/zinc/24/58/53/701245853.db2.gz KCYPICDHAXACTO-OAHLLOKOSA-N 1 2 309.362 1.555 20 10 DDCDLO C[C@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000839564369 701738541 /nfs/dbraw/zinc/73/85/41/701738541.db2.gz TWSHNGQDAKIVCH-NSHDSACASA-N 1 2 315.425 1.437 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868055398 701916446 /nfs/dbraw/zinc/91/64/46/701916446.db2.gz JCUUITIYIBFCDT-CHWSQXEVSA-N 1 2 307.394 1.473 20 10 DDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000816897304 702212325 /nfs/dbraw/zinc/21/23/25/702212325.db2.gz CNZBKIFPBAFFQH-UHFFFAOYSA-N 1 2 300.362 1.105 20 10 DDCDLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(Br)ccc1O ZINC000846102384 703238241 /nfs/dbraw/zinc/23/82/41/703238241.db2.gz DXYOYHKBVKSWKW-DINDLPBHSA-N 1 2 316.220 1.860 20 10 DDCDLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(Br)ccc1O ZINC000846102384 703238243 /nfs/dbraw/zinc/23/82/43/703238243.db2.gz DXYOYHKBVKSWKW-DINDLPBHSA-N 1 2 316.220 1.860 20 10 DDCDLO COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(O)c1 ZINC000846951550 703356532 /nfs/dbraw/zinc/35/65/32/703356532.db2.gz XCIBXQSKVLBTKP-CHWSQXEVSA-N 1 2 301.346 1.554 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000858140383 704669895 /nfs/dbraw/zinc/66/98/95/704669895.db2.gz CKVOHFPSSNULNR-CYBMUJFWSA-N 1 2 307.394 1.221 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1cccc(OC)c1O)CC2 ZINC000825017720 705578163 /nfs/dbraw/zinc/57/81/63/705578163.db2.gz YEKRVVSMFFZMQM-UHFFFAOYSA-N 1 2 317.345 1.469 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1cccc(OC)c1O)CC2 ZINC000825017720 705578166 /nfs/dbraw/zinc/57/81/66/705578166.db2.gz YEKRVVSMFFZMQM-UHFFFAOYSA-N 1 2 317.345 1.469 20 10 DDCDLO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3O)C2=O)cn1 ZINC000877045942 705971340 /nfs/dbraw/zinc/97/13/40/705971340.db2.gz GZTVOIZZXJLMEC-LBPRGKRZSA-N 1 2 322.315 1.299 20 10 DDCDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000864049873 706051344 /nfs/dbraw/zinc/05/13/44/706051344.db2.gz NITOZXJBRBDSEM-NSHDSACASA-N 1 2 313.348 1.858 20 10 DDCDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000864049873 706051345 /nfs/dbraw/zinc/05/13/45/706051345.db2.gz NITOZXJBRBDSEM-NSHDSACASA-N 1 2 313.348 1.858 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]2C1 ZINC000877793246 706217083 /nfs/dbraw/zinc/21/70/83/706217083.db2.gz NGFBLKGQXSSELZ-GHMZBOCLSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@@H]2C1 ZINC000877793246 706217086 /nfs/dbraw/zinc/21/70/86/706217086.db2.gz NGFBLKGQXSSELZ-GHMZBOCLSA-N 1 2 315.822 1.912 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C)C[C@H]2CO)c1O ZINC000879003144 706559741 /nfs/dbraw/zinc/55/97/41/706559741.db2.gz VJOMINZLVZXVGQ-ZDUSSCGKSA-N 1 2 312.797 1.357 20 10 DDCDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)C[C@H]2CO)c1O ZINC000879003144 706559744 /nfs/dbraw/zinc/55/97/44/706559744.db2.gz VJOMINZLVZXVGQ-ZDUSSCGKSA-N 1 2 312.797 1.357 20 10 DDCDLO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)cc(F)c1O ZINC000834898128 707146386 /nfs/dbraw/zinc/14/63/86/707146386.db2.gz ZIVSCFNIERNXBW-DIMCTHFVSA-N 1 2 320.158 1.704 20 10 DDCDLO CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cccc(Cl)c1O ZINC000927024460 712931865 /nfs/dbraw/zinc/93/18/65/712931865.db2.gz KVYSNVIFZIDJHG-JOYOIKCWSA-N 1 2 321.826 1.492 20 10 DDCDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000894048663 710943081 /nfs/dbraw/zinc/94/30/81/710943081.db2.gz AKDGHGBPSGMDLG-NRFANRHFSA-N 1 2 318.389 1.167 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090015 711405470 /nfs/dbraw/zinc/40/54/70/711405470.db2.gz QSYDEALYKVODEZ-ONGXEEELSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895090015 711405474 /nfs/dbraw/zinc/40/54/74/711405474.db2.gz QSYDEALYKVODEZ-ONGXEEELSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168067280 741166049 /nfs/dbraw/zinc/16/60/49/741166049.db2.gz SVFWDSYUQRBFHP-RTXFEEFZSA-N 1 2 309.362 1.339 20 10 DDCDLO Oc1cc2c(cc1C[NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)OCO2 ZINC001118386771 781111560 /nfs/dbraw/zinc/11/15/60/781111560.db2.gz GQTSOTSYHCRILP-NSHDSACASA-N 1 2 318.333 1.380 20 10 DDCDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001273265056 849265396 /nfs/dbraw/zinc/26/53/96/849265396.db2.gz ACYUTJCTKWHQTB-UHFFFAOYSA-N 1 2 322.380 1.601 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831530 859982916 /nfs/dbraw/zinc/98/29/16/859982916.db2.gz CUVWZSZBWVGZGR-OAHLLOKOSA-N 1 2 308.353 1.355 20 10 DDCDLO Cc1ccnc(N2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC001138130574 860011677 /nfs/dbraw/zinc/01/16/77/860011677.db2.gz CVMWFUHASBKMHS-UHFFFAOYSA-N 1 2 302.353 1.952 20 10 DDCDLO CC(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141145429 860795607 /nfs/dbraw/zinc/79/56/07/860795607.db2.gz CJNRIYWDUSSJLA-UHFFFAOYSA-N 1 2 317.433 1.815 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635650 867708005 /nfs/dbraw/zinc/70/80/05/867708005.db2.gz CQXKZTYMZBQHHC-IRXDYDNUSA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635650 867708012 /nfs/dbraw/zinc/70/80/12/867708012.db2.gz CQXKZTYMZBQHHC-IRXDYDNUSA-N 1 2 318.417 1.785 20 10 DDCDLO COc1cccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC001346503096 873778980 /nfs/dbraw/zinc/77/89/80/873778980.db2.gz CHJULQYLHDXQTM-LBPRGKRZSA-N 1 2 304.350 1.660 20 10 DDCDLO COc1ccc(N2CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC2)cc1 ZINC001353431325 877324879 /nfs/dbraw/zinc/32/48/79/877324879.db2.gz BJBGAHBNVVLNGX-CYBMUJFWSA-N 1 2 313.348 1.326 20 10 DDCDLO Nc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001353539019 877407145 /nfs/dbraw/zinc/40/71/45/877407145.db2.gz HCZKSLHFOLTIBI-UHFFFAOYSA-N 1 2 311.389 1.696 20 10 DDCDLO COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCC[NH2+]C2)c1O ZINC001218284471 877444750 /nfs/dbraw/zinc/44/47/50/877444750.db2.gz ZNZURQXBMNIHOL-SSDOTTSWSA-N 1 2 315.347 1.158 20 10 DDCDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C(=O)N(C)C)O3)c(O)c1 ZINC001277568291 885885318 /nfs/dbraw/zinc/88/53/18/885885318.db2.gz NPDOZSLYTPQESK-OAHLLOKOSA-N 1 2 304.390 1.522 20 10 DDCDLO Oc1cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)cc1Br ZINC001236769222 889344343 /nfs/dbraw/zinc/34/43/43/889344343.db2.gz VIVGFVAIMPACKR-BXKDBHETSA-N 1 2 320.158 1.765 20 10 DDCDLO Oc1cc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(O)cc1Br ZINC001236769222 889344354 /nfs/dbraw/zinc/34/43/54/889344354.db2.gz VIVGFVAIMPACKR-BXKDBHETSA-N 1 2 320.158 1.765 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[NH2+]CC(F)(F)C(=O)[O-])cc2)CC1 ZINC001262163327 899994152 /nfs/dbraw/zinc/99/41/52/899994152.db2.gz PHZTYCALZRCQMK-UHFFFAOYSA-N 1 2 313.348 1.248 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000299717848 132116420 /nfs/dbraw/zinc/11/64/20/132116420.db2.gz RTKXNHVHPFZRAD-QGZVFWFLSA-N 1 2 317.433 1.480 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000299717848 132116421 /nfs/dbraw/zinc/11/64/21/132116421.db2.gz RTKXNHVHPFZRAD-QGZVFWFLSA-N 1 2 317.433 1.480 20 10 DDCDLO CCNC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271777680 407730970 /nfs/dbraw/zinc/73/09/70/407730970.db2.gz GEIONDPEEAFIRK-UHFFFAOYSA-N 1 2 323.393 1.257 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)c(O)c1 ZINC000179715708 407826597 /nfs/dbraw/zinc/82/65/97/407826597.db2.gz NGSPSYSUTBGPHR-MRXNPFEDSA-N 1 2 322.405 1.518 20 10 DDCDLO Nc1ccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237897891 407851684 /nfs/dbraw/zinc/85/16/84/407851684.db2.gz YSCHLNBLPLLVFT-UHFFFAOYSA-N 1 2 310.401 1.992 20 10 DDCDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000183466833 408418930 /nfs/dbraw/zinc/41/89/30/408418930.db2.gz ABCFLSGEJHQMGR-UHFFFAOYSA-N 1 2 316.357 1.952 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1F ZINC000291184408 408861045 /nfs/dbraw/zinc/86/10/45/408861045.db2.gz HOQJGWRZWMBIBT-UHFFFAOYSA-N 1 2 317.368 1.814 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1OC ZINC000271101904 295004235 /nfs/dbraw/zinc/00/42/35/295004235.db2.gz PUGCFNOQIBHFHB-FLCAKIMKSA-N 1 2 313.419 1.751 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1OC ZINC000271101904 295004237 /nfs/dbraw/zinc/00/42/37/295004237.db2.gz PUGCFNOQIBHFHB-FLCAKIMKSA-N 1 2 313.419 1.751 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000188791140 523997800 /nfs/dbraw/zinc/99/78/00/523997800.db2.gz GVRSLNKGVVTWCH-CHWSQXEVSA-N 1 2 313.781 1.852 20 10 DDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000188791140 523997803 /nfs/dbraw/zinc/99/78/03/523997803.db2.gz GVRSLNKGVVTWCH-CHWSQXEVSA-N 1 2 313.781 1.852 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000075701191 696423392 /nfs/dbraw/zinc/42/33/92/696423392.db2.gz WGHLRFCGVJHSPT-UHFFFAOYSA-N 1 2 319.449 1.822 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000075701191 696423394 /nfs/dbraw/zinc/42/33/94/696423394.db2.gz WGHLRFCGVJHSPT-UHFFFAOYSA-N 1 2 319.449 1.822 20 10 DDCDLO Cn1cnnc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232880 696643040 /nfs/dbraw/zinc/64/30/40/696643040.db2.gz AFYBCEDSUCTALT-AWEZNQCLSA-N 1 2 302.378 1.702 20 10 DDCDLO Cn1cnnc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232880 696643041 /nfs/dbraw/zinc/64/30/41/696643041.db2.gz AFYBCEDSUCTALT-AWEZNQCLSA-N 1 2 302.378 1.702 20 10 DDCDLO CCN(C)c1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000773756106 697800912 /nfs/dbraw/zinc/80/09/12/697800912.db2.gz TZJYWCOAZAGVKF-UHFFFAOYSA-N 1 2 318.465 1.524 20 10 DDCDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000292010620 698575983 /nfs/dbraw/zinc/57/59/83/698575983.db2.gz OKKDNPYEPHUDBW-UHFFFAOYSA-N 1 2 313.405 1.802 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000782297275 698705665 /nfs/dbraw/zinc/70/56/65/698705665.db2.gz YNYYYCWIIZYNFU-KTLBGCOUSA-N 1 2 307.346 1.375 20 10 DDCDLO COc1cccc(O)c1C[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000783723952 698870901 /nfs/dbraw/zinc/87/09/01/698870901.db2.gz SCARMMLGMWKKRW-CYBMUJFWSA-N 1 2 308.422 1.678 20 10 DDCDLO COc1cccc(O)c1C[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000783723952 698870910 /nfs/dbraw/zinc/87/09/10/698870910.db2.gz SCARMMLGMWKKRW-CYBMUJFWSA-N 1 2 308.422 1.678 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394472815 699107098 /nfs/dbraw/zinc/10/70/98/699107098.db2.gz YQHOFJIMXJDZIU-GFCCVEGCSA-N 1 2 306.362 1.035 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000763880986 700951401 /nfs/dbraw/zinc/95/14/01/700951401.db2.gz KRPRCYWFXWSOCW-OAHLLOKOSA-N 1 2 313.781 1.831 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000763880986 700951404 /nfs/dbraw/zinc/95/14/04/700951404.db2.gz KRPRCYWFXWSOCW-OAHLLOKOSA-N 1 2 313.781 1.831 20 10 DDCDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1O ZINC000867955454 701852215 /nfs/dbraw/zinc/85/22/15/701852215.db2.gz BJBCUUOEMGVKTE-CYBMUJFWSA-N 1 2 321.421 1.863 20 10 DDCDLO C[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1O ZINC000868284757 702042806 /nfs/dbraw/zinc/04/28/06/702042806.db2.gz BQTFELFKGZQCQP-MGPQQGTHSA-N 1 2 321.421 1.862 20 10 DDCDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816569214 702114954 /nfs/dbraw/zinc/11/49/54/702114954.db2.gz COZZOYPQRXYVFY-VIFPVBQESA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816569214 702114955 /nfs/dbraw/zinc/11/49/55/702114955.db2.gz COZZOYPQRXYVFY-VIFPVBQESA-N 1 2 322.789 1.438 20 10 DDCDLO Nc1ccc(CCNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000841725179 702550292 /nfs/dbraw/zinc/55/02/92/702550292.db2.gz IPDMXSHGRLAPGL-UHFFFAOYSA-N 1 2 301.394 1.787 20 10 DDCDLO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848296153 703537090 /nfs/dbraw/zinc/53/70/90/703537090.db2.gz ZDERLABRPLEZQX-SDDRHHMPSA-N 1 2 308.378 1.325 20 10 DDCDLO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848296153 703537091 /nfs/dbraw/zinc/53/70/91/703537091.db2.gz ZDERLABRPLEZQX-SDDRHHMPSA-N 1 2 308.378 1.325 20 10 DDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834879650 707145927 /nfs/dbraw/zinc/14/59/27/707145927.db2.gz ULVMXYSQDOOZEN-WCBMZHEXSA-N 1 2 322.377 1.649 20 10 DDCDLO CCc1nnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000824446543 705454098 /nfs/dbraw/zinc/45/40/98/705454098.db2.gz YUGCLDMRLVDKBV-UHFFFAOYSA-N 1 2 319.384 1.633 20 10 DDCDLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Br)cc1O ZINC000826142551 705776779 /nfs/dbraw/zinc/77/67/79/705776779.db2.gz FGHPTEGDFQSPCE-DINDLPBHSA-N 1 2 316.220 1.860 20 10 DDCDLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Br)cc1O ZINC000826142551 705776783 /nfs/dbraw/zinc/77/67/83/705776783.db2.gz FGHPTEGDFQSPCE-DINDLPBHSA-N 1 2 316.220 1.860 20 10 DDCDLO OCCO[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000826943040 705895998 /nfs/dbraw/zinc/89/59/98/705895998.db2.gz UGJMAXBCIAPMGT-CQSZACIVSA-N 1 2 301.770 1.303 20 10 DDCDLO Cc1cccc(O)c1C[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000877191004 706011920 /nfs/dbraw/zinc/01/19/20/706011920.db2.gz YQIJSHLXGSVXET-UHFFFAOYSA-N 1 2 324.446 1.747 20 10 DDCDLO Cc1cc(Cl)cc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)c1O ZINC000839145256 708030372 /nfs/dbraw/zinc/03/03/72/708030372.db2.gz XREPNMQCYUZTIE-UHFFFAOYSA-N 1 2 321.768 1.101 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000925609488 714899389 /nfs/dbraw/zinc/89/93/89/714899389.db2.gz UNAWMSZKQCXAST-UONOGXRCSA-N 1 2 321.421 1.863 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1O ZINC001171740962 776459998 /nfs/dbraw/zinc/45/99/98/776459998.db2.gz JGJRELCQPXUWIJ-IINYFYTJSA-N 1 2 322.336 1.664 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1O ZINC001171740962 776460001 /nfs/dbraw/zinc/46/00/01/776460001.db2.gz JGJRELCQPXUWIJ-IINYFYTJSA-N 1 2 322.336 1.664 20 10 DDCDLO CN1CCN(c2ccc(C[NH2+]C3CC[NH2+]CC3)cc2F)CC1 ZINC001117953929 780961983 /nfs/dbraw/zinc/96/19/83/780961983.db2.gz UITRSCDRANBQIM-UHFFFAOYSA-N 1 2 306.429 1.419 20 10 DDCDLO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001269919179 842153980 /nfs/dbraw/zinc/15/39/80/842153980.db2.gz KBIBDKRPTTXNQC-INIZCTEOSA-N 1 2 305.378 1.441 20 10 DDCDLO C[N@H+]1CCC[C@]2(CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001269919179 842153985 /nfs/dbraw/zinc/15/39/85/842153985.db2.gz KBIBDKRPTTXNQC-INIZCTEOSA-N 1 2 305.378 1.441 20 10 DDCDLO Cc1c(C[NH+]2CC3(C2)CN(C)C(=O)CO3)c2ccccc2n1C ZINC001273310091 849389605 /nfs/dbraw/zinc/38/96/05/849389605.db2.gz QDLKHMVHDOEGBG-UHFFFAOYSA-N 1 2 313.401 1.530 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(C2COC2)C1 ZINC001139127627 860299375 /nfs/dbraw/zinc/29/93/75/860299375.db2.gz ZLERBYQGROWDNO-UHFFFAOYSA-N 1 2 301.342 1.885 20 10 DDCDLO COC(=O)CC[N@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139133734 860301282 /nfs/dbraw/zinc/30/12/82/860301282.db2.gz NTJRAAQZESJGQJ-UHFFFAOYSA-N 1 2 305.330 1.802 20 10 DDCDLO COC(=O)CC[N@@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139133734 860301291 /nfs/dbraw/zinc/30/12/91/860301291.db2.gz NTJRAAQZESJGQJ-UHFFFAOYSA-N 1 2 305.330 1.802 20 10 DDCDLO Oc1ccccc1C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001203555892 870639425 /nfs/dbraw/zinc/63/94/25/870639425.db2.gz IUVZHLDVVRZMLZ-UHFFFAOYSA-N 1 2 324.388 1.634 20 10 DDCDLO Oc1ccccc1C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001203555892 870639428 /nfs/dbraw/zinc/63/94/28/870639428.db2.gz IUVZHLDVVRZMLZ-UHFFFAOYSA-N 1 2 324.388 1.634 20 10 DDCDLO COc1cc(N(C)C)ccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001231853420 885908801 /nfs/dbraw/zinc/90/88/01/885908801.db2.gz KFAWRWXHOZPBSB-AWEZNQCLSA-N 1 2 307.413 1.989 20 10 DDCDLO COc1cc(N(C)C)ccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001231853420 885908813 /nfs/dbraw/zinc/90/88/13/885908813.db2.gz KFAWRWXHOZPBSB-AWEZNQCLSA-N 1 2 307.413 1.989 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001231853420 885908828 /nfs/dbraw/zinc/90/88/28/885908828.db2.gz KFAWRWXHOZPBSB-AWEZNQCLSA-N 1 2 307.413 1.989 20 10 DDCDLO CN1CCO[C@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@H]21 ZINC001237123512 889512963 /nfs/dbraw/zinc/51/29/63/889512963.db2.gz IZERQORLLUAZDY-YPMHNXCESA-N 1 2 300.761 1.700 20 10 DDCDLO CN1CCO[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)C[C@H]21 ZINC001237123512 889512980 /nfs/dbraw/zinc/51/29/80/889512980.db2.gz IZERQORLLUAZDY-YPMHNXCESA-N 1 2 300.761 1.700 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238060226 890005686 /nfs/dbraw/zinc/00/56/86/890005686.db2.gz GOUHIRXDFVGPBT-GFCCVEGCSA-N 1 2 320.368 1.714 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238060226 890005698 /nfs/dbraw/zinc/00/56/98/890005698.db2.gz GOUHIRXDFVGPBT-GFCCVEGCSA-N 1 2 320.368 1.714 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257070601 897711884 /nfs/dbraw/zinc/71/18/84/897711884.db2.gz OBQLEWOSNVLVHP-XCCSTKFXSA-N 1 2 323.389 1.728 20 10 DDCDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355181 130022460 /nfs/dbraw/zinc/02/24/60/130022460.db2.gz PALFPKDOAJYRBC-HOCLYGCPSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355181 130022462 /nfs/dbraw/zinc/02/24/62/130022462.db2.gz PALFPKDOAJYRBC-HOCLYGCPSA-N 1 2 319.449 1.868 20 10 DDCDLO COc1ccc(O)c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000136026352 408069261 /nfs/dbraw/zinc/06/92/61/408069261.db2.gz LTFKSVUZYIUVFW-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000273465226 408211487 /nfs/dbraw/zinc/21/14/87/408211487.db2.gz DPHHOWBPLRRAEA-ZJUUUORDSA-N 1 2 304.350 1.719 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC000276660124 408894841 /nfs/dbraw/zinc/89/48/41/408894841.db2.gz SWZGMGGSVYJFKW-GXTWGEPZSA-N 1 2 309.362 1.289 20 10 DDCDLO CCCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC000276660124 408894843 /nfs/dbraw/zinc/89/48/43/408894843.db2.gz SWZGMGGSVYJFKW-GXTWGEPZSA-N 1 2 309.362 1.289 20 10 DDCDLO C[C@@H](O)CNc1cc(NCc2ccc(N(C)C)cc2)nc[nH+]1 ZINC000298197358 410128977 /nfs/dbraw/zinc/12/89/77/410128977.db2.gz HYOLOVMGCPCZIU-GFCCVEGCSA-N 1 2 301.394 1.947 20 10 DDCDLO C[C@@H](O)CNc1cc(NCc2ccc(N(C)C)cc2)[nH+]cn1 ZINC000298197358 410128983 /nfs/dbraw/zinc/12/89/83/410128983.db2.gz HYOLOVMGCPCZIU-GFCCVEGCSA-N 1 2 301.394 1.947 20 10 DDCDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378443183 418723613 /nfs/dbraw/zinc/72/36/13/418723613.db2.gz QVNRHKLXVZAEKZ-LBPRGKRZSA-N 1 2 323.780 1.514 20 10 DDCDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000378443183 418723614 /nfs/dbraw/zinc/72/36/14/418723614.db2.gz QVNRHKLXVZAEKZ-LBPRGKRZSA-N 1 2 323.780 1.514 20 10 DDCDLO CC(C)OC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000372117443 418837812 /nfs/dbraw/zinc/83/78/12/418837812.db2.gz SQESSDDURZVHPM-CYBMUJFWSA-N 1 2 309.362 1.747 20 10 DDCDLO CC(C)OC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000372117443 418837814 /nfs/dbraw/zinc/83/78/14/418837814.db2.gz SQESSDDURZVHPM-CYBMUJFWSA-N 1 2 309.362 1.747 20 10 DDCDLO COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000492815142 277357836 /nfs/dbraw/zinc/35/78/36/277357836.db2.gz WKIOSIMQZNKULD-AFNCTOJWSA-N 1 2 313.313 1.390 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cncnc3)CC2)cc1F ZINC000180549854 697449877 /nfs/dbraw/zinc/44/98/77/697449877.db2.gz OCYZXAXEZAKYHK-UHFFFAOYSA-N 1 2 302.353 1.947 20 10 DDCDLO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000775010846 697953743 /nfs/dbraw/zinc/95/37/43/697953743.db2.gz FYEHJHDAZWUURS-NSHDSACASA-N 1 2 309.366 1.740 20 10 DDCDLO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000775010846 697953746 /nfs/dbraw/zinc/95/37/46/697953746.db2.gz FYEHJHDAZWUURS-NSHDSACASA-N 1 2 309.366 1.740 20 10 DDCDLO CC(C)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000780791693 698560021 /nfs/dbraw/zinc/56/00/21/698560021.db2.gz CECFYBVFJYLTLB-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO CC(C)N1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000780791693 698560025 /nfs/dbraw/zinc/56/00/25/698560025.db2.gz CECFYBVFJYLTLB-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO O=C1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)CCN1 ZINC000396674484 699112465 /nfs/dbraw/zinc/11/24/65/699112465.db2.gz BDWCHPXCXNNTFL-SNVBAGLBSA-N 1 2 313.195 1.913 20 10 DDCDLO COC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000794837503 699832444 /nfs/dbraw/zinc/83/24/44/699832444.db2.gz SDHYPAXFVMVOQT-CBAPKCEASA-N 1 2 322.174 1.952 20 10 DDCDLO COc1ccc(N2CC[NH+](CN3C(=O)CC34CCC4)CC2)cc1 ZINC000743347909 699907868 /nfs/dbraw/zinc/90/78/68/699907868.db2.gz UFIYRUDMXPMDRH-UHFFFAOYSA-N 1 2 315.417 1.930 20 10 DDCDLO COc1c(O)c(C[N@H+](C)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000809751933 701685924 /nfs/dbraw/zinc/68/59/24/701685924.db2.gz YIWHOYKWFOYOFA-VIFPVBQESA-N 1 2 324.255 1.664 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000809751933 701685926 /nfs/dbraw/zinc/68/59/26/701685926.db2.gz YIWHOYKWFOYOFA-VIFPVBQESA-N 1 2 324.255 1.664 20 10 DDCDLO CC1(C)C[S@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000813331930 702329370 /nfs/dbraw/zinc/32/93/70/702329370.db2.gz SEBZXKJRYQVQMV-JOCHJYFZSA-N 1 2 322.474 1.866 20 10 DDCDLO CC1(C)C[S@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000813331930 702329375 /nfs/dbraw/zinc/32/93/75/702329375.db2.gz SEBZXKJRYQVQMV-JOCHJYFZSA-N 1 2 322.474 1.866 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCc3nccnc3C2)cc1OC ZINC000853607237 704284594 /nfs/dbraw/zinc/28/45/94/704284594.db2.gz WGLRNFAWRKNHED-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCc3nccnc3C2)cc1OC ZINC000853607237 704284596 /nfs/dbraw/zinc/28/45/96/704284596.db2.gz WGLRNFAWRKNHED-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000875195366 705311774 /nfs/dbraw/zinc/31/17/74/705311774.db2.gz NQYDEMSXSROVMZ-CYBMUJFWSA-N 1 2 307.394 1.221 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000875195366 705311777 /nfs/dbraw/zinc/31/17/77/705311777.db2.gz NQYDEMSXSROVMZ-CYBMUJFWSA-N 1 2 307.394 1.221 20 10 DDCDLO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)nn1 ZINC000827087127 705925480 /nfs/dbraw/zinc/92/54/80/705925480.db2.gz KCEAMANRALODIQ-UHFFFAOYSA-N 1 2 307.310 1.210 20 10 DDCDLO Cc1nonc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526886 706132195 /nfs/dbraw/zinc/13/21/95/706132195.db2.gz MTSLQMWMXOAIIC-UHFFFAOYSA-N 1 2 302.378 1.629 20 10 DDCDLO COC(=O)N1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142508791 742137449 /nfs/dbraw/zinc/13/74/49/742137449.db2.gz LRKNPIJPWCKQJF-UHFFFAOYSA-N 1 2 300.305 1.945 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001204279257 742919240 /nfs/dbraw/zinc/91/92/40/742919240.db2.gz UCEOLWXUPATZNR-XYYAHUGASA-N 1 2 307.346 1.250 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204279257 742919245 /nfs/dbraw/zinc/91/92/45/742919245.db2.gz UCEOLWXUPATZNR-XYYAHUGASA-N 1 2 307.346 1.250 20 10 DDCDLO COc1cc(C(=O)Nc2cc[nH+]c3c2CCC3)cc(O)c1O ZINC001193080730 745969932 /nfs/dbraw/zinc/96/99/32/745969932.db2.gz DGGULYMHNZKGLQ-UHFFFAOYSA-N 1 2 300.314 1.664 20 10 DDCDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001275821047 853814246 /nfs/dbraw/zinc/81/42/46/853814246.db2.gz GZXKUFDHMJRULW-UHFFFAOYSA-N 1 2 305.378 1.333 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(OC)c1 ZINC001141031810 860768786 /nfs/dbraw/zinc/76/87/86/860768786.db2.gz MOUPCVICBOPWRK-GJZGRUSLSA-N 1 2 317.332 1.654 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(OC)c1 ZINC001141031810 860768789 /nfs/dbraw/zinc/76/87/89/860768789.db2.gz MOUPCVICBOPWRK-GJZGRUSLSA-N 1 2 317.332 1.654 20 10 DDCDLO C[S@@](=N)(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001330651801 864512455 /nfs/dbraw/zinc/51/24/55/864512455.db2.gz IMGYXJKBZOGKRS-QFIPXVFZSA-N 1 2 322.478 1.996 20 10 DDCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335724109 868497905 /nfs/dbraw/zinc/49/79/05/868497905.db2.gz GTNRIJIBNMRXHB-CZUORRHYSA-N 1 2 318.421 1.273 20 10 DDCDLO Nc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001336863635 869187792 /nfs/dbraw/zinc/18/77/92/869187792.db2.gz UAPZFPGGTNBKJP-OAHLLOKOSA-N 1 2 311.389 1.742 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(OC)c(O)cc1O ZINC001231633417 885770191 /nfs/dbraw/zinc/77/01/91/885770191.db2.gz OAOXZHMNOOIFQN-BZNIZROVSA-N 1 2 307.346 1.634 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(OC)c(O)cc1O ZINC001231633417 885770202 /nfs/dbraw/zinc/77/02/02/885770202.db2.gz OAOXZHMNOOIFQN-BZNIZROVSA-N 1 2 307.346 1.634 20 10 DDCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(=O)[nH]n3)CC2)cc1 ZINC001232028304 886030048 /nfs/dbraw/zinc/03/00/48/886030048.db2.gz PGUZSZJEELDMPT-UHFFFAOYSA-N 1 2 314.389 1.903 20 10 DDCDLO COC(=O)c1c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001232401856 886336000 /nfs/dbraw/zinc/33/60/00/886336000.db2.gz DSORSBKCMDBWIJ-NEPJUHHUSA-N 1 2 320.364 1.870 20 10 DDCDLO COC(=O)c1c(C[N@H+]2C[C@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001232401856 886336018 /nfs/dbraw/zinc/33/60/18/886336018.db2.gz DSORSBKCMDBWIJ-NEPJUHHUSA-N 1 2 320.364 1.870 20 10 DDCDLO O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233011691 886724022 /nfs/dbraw/zinc/72/40/22/886724022.db2.gz IUPLDLJSDLADIS-UHFFFAOYSA-N 1 2 318.373 1.390 20 10 DDCDLO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233011691 886724028 /nfs/dbraw/zinc/72/40/28/886724028.db2.gz IUPLDLJSDLADIS-UHFFFAOYSA-N 1 2 318.373 1.390 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)cc1O ZINC001233486047 887017844 /nfs/dbraw/zinc/01/78/44/887017844.db2.gz VYIAGXKFJXIYBM-UHFFFAOYSA-N 1 2 306.284 1.483 20 10 DDCDLO N#CN1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233775854 887315279 /nfs/dbraw/zinc/31/52/79/887315279.db2.gz FESIBLUBIMFYLR-UHFFFAOYSA-N 1 2 301.268 1.889 20 10 DDCDLO COc1cc(C[NH+]2CC(C(N)=O)C2)c(O)cc1Br ZINC001236756131 889326688 /nfs/dbraw/zinc/32/66/88/889326688.db2.gz JHXFRXMYMFKCPC-UHFFFAOYSA-N 1 2 315.167 1.080 20 10 DDCDLO O=C(NCC(F)F)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278254761 890282935 /nfs/dbraw/zinc/28/29/35/890282935.db2.gz HBRCSAVKUNMPIE-BMIGLBTASA-N 1 2 314.307 1.877 20 10 DDCDLO O=C(NCC(F)F)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278254761 890282950 /nfs/dbraw/zinc/28/29/50/890282950.db2.gz HBRCSAVKUNMPIE-BMIGLBTASA-N 1 2 314.307 1.877 20 10 DDCDLO CC[C@]1(C(=O)OC)C[C@@H](N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC001246901588 892980022 /nfs/dbraw/zinc/98/00/22/892980022.db2.gz OJPMELIMXTUNGO-SJLPKXTDSA-N 1 2 319.449 1.868 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCSCC1 ZINC001255076262 896723203 /nfs/dbraw/zinc/72/32/03/896723203.db2.gz PAGFOFKPCKHYAA-LBPRGKRZSA-N 1 2 311.403 1.667 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H](C(N)=O)O1 ZINC000294402157 409290965 /nfs/dbraw/zinc/29/09/65/409290965.db2.gz VYSPQIAVHLBYJV-JMCQJSRRSA-N 1 2 302.733 1.259 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H](C(N)=O)O1 ZINC000294402157 409290967 /nfs/dbraw/zinc/29/09/67/409290967.db2.gz VYSPQIAVHLBYJV-JMCQJSRRSA-N 1 2 302.733 1.259 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374107585 418488479 /nfs/dbraw/zinc/48/84/79/418488479.db2.gz NFXFQKHUUYZPSL-CALCHBBNSA-N 1 2 317.433 1.574 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374107585 418488482 /nfs/dbraw/zinc/48/84/82/418488482.db2.gz NFXFQKHUUYZPSL-CALCHBBNSA-N 1 2 317.433 1.574 20 10 DDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3c(nn(CC(F)F)c3=O)C2)c1 ZINC000375916614 418690325 /nfs/dbraw/zinc/69/03/25/418690325.db2.gz BWGXUXMRGQIOCO-UHFFFAOYSA-N 1 2 324.331 1.340 20 10 DDCDLO Cc1ccc(O)c(C[N@H+]2CCn3c(nn(CC(F)F)c3=O)C2)c1 ZINC000375916614 418690327 /nfs/dbraw/zinc/69/03/27/418690327.db2.gz BWGXUXMRGQIOCO-UHFFFAOYSA-N 1 2 324.331 1.340 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c1 ZINC000371403471 418789203 /nfs/dbraw/zinc/78/92/03/418789203.db2.gz RWNSNSDIDKBFCN-OAHLLOKOSA-N 1 2 323.389 1.945 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c1 ZINC000371403471 418789205 /nfs/dbraw/zinc/78/92/05/418789205.db2.gz RWNSNSDIDKBFCN-OAHLLOKOSA-N 1 2 323.389 1.945 20 10 DDCDLO Nc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC001120592248 782043294 /nfs/dbraw/zinc/04/32/94/782043294.db2.gz UBYIBFSRNHHYEJ-MRXNPFEDSA-N 1 2 318.421 1.275 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000161980161 526959683 /nfs/dbraw/zinc/95/96/83/526959683.db2.gz QSJICXICKNEFNK-NSHDSACASA-N 1 2 313.195 1.995 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000161980161 526959689 /nfs/dbraw/zinc/95/96/89/526959689.db2.gz QSJICXICKNEFNK-NSHDSACASA-N 1 2 313.195 1.995 20 10 DDCDLO CCOc1ccc(N(CC)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000747682596 700081647 /nfs/dbraw/zinc/08/16/47/700081647.db2.gz OTXBAWSRDXFHHH-MRXNPFEDSA-N 1 2 308.422 1.605 20 10 DDCDLO COc1cc(C[NH+]2CCN(CC(C)(C)O)CC2)c(O)cc1C ZINC000160244886 697316034 /nfs/dbraw/zinc/31/60/34/697316034.db2.gz HHBXTNKVTVZCRJ-UHFFFAOYSA-N 1 2 308.422 1.598 20 10 DDCDLO COc1c(O)c(C[N@H+](C)CC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000774821503 697931576 /nfs/dbraw/zinc/93/15/76/697931576.db2.gz RPXBCIJTLHAIQB-UHFFFAOYSA-N 1 2 323.349 1.363 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)CC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000774821503 697931579 /nfs/dbraw/zinc/93/15/79/697931579.db2.gz RPXBCIJTLHAIQB-UHFFFAOYSA-N 1 2 323.349 1.363 20 10 DDCDLO OCC(CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708188776 699249309 /nfs/dbraw/zinc/24/93/09/699249309.db2.gz ADIDQMQLGBJGCK-UHFFFAOYSA-N 1 2 310.575 1.251 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC000808752073 701535134 /nfs/dbraw/zinc/53/51/34/701535134.db2.gz WSNXHORKADWQBV-HZMBPMFUSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC000808752073 701535135 /nfs/dbraw/zinc/53/51/35/701535135.db2.gz WSNXHORKADWQBV-HZMBPMFUSA-N 1 2 313.781 1.423 20 10 DDCDLO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000875243763 705328404 /nfs/dbraw/zinc/32/84/04/705328404.db2.gz YZIMTRMHHROVKF-CHWSQXEVSA-N 1 2 319.405 1.527 20 10 DDCDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877516057 706129440 /nfs/dbraw/zinc/12/94/40/706129440.db2.gz BGAAOPCNMSNERQ-DGCLKSJQSA-N 1 2 312.360 1.965 20 10 DDCDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877516057 706129442 /nfs/dbraw/zinc/12/94/42/706129442.db2.gz BGAAOPCNMSNERQ-DGCLKSJQSA-N 1 2 312.360 1.965 20 10 DDCDLO COC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@H+](C)C1 ZINC000877587122 706151096 /nfs/dbraw/zinc/15/10/96/706151096.db2.gz FUAXBOGHCVAHQX-LLVKDONJSA-N 1 2 314.332 1.207 20 10 DDCDLO COC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@@H+](C)C1 ZINC000877587122 706151099 /nfs/dbraw/zinc/15/10/99/706151099.db2.gz FUAXBOGHCVAHQX-LLVKDONJSA-N 1 2 314.332 1.207 20 10 DDCDLO C/C(=C/C(=O)NCc1cc(C)ccc1O)C[NH+]1CCOCC1 ZINC000913000861 713142238 /nfs/dbraw/zinc/14/22/38/713142238.db2.gz XXYBLCIXZNTKBL-UVTDQMKNSA-N 1 2 304.390 1.595 20 10 DDCDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894021321 710931575 /nfs/dbraw/zinc/93/15/75/710931575.db2.gz MLRZVMQRFDMDSM-UHFFFAOYSA-N 1 2 320.361 1.184 20 10 DDCDLO COc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cc1OC ZINC000895117701 711421993 /nfs/dbraw/zinc/42/19/93/711421993.db2.gz CDXFCLZYDCAONE-OUAUKWLOSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cc1OC ZINC000895117701 711421995 /nfs/dbraw/zinc/42/19/95/711421995.db2.gz CDXFCLZYDCAONE-OUAUKWLOSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCCn3nncc3C2)cc1OC ZINC000895756676 711596944 /nfs/dbraw/zinc/59/69/44/711596944.db2.gz ZHZXLQGZIWMCPQ-UHFFFAOYSA-N 1 2 304.350 1.407 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCCn3nncc3C2)cc1OC ZINC000895756676 711596946 /nfs/dbraw/zinc/59/69/46/711596946.db2.gz ZHZXLQGZIWMCPQ-UHFFFAOYSA-N 1 2 304.350 1.407 20 10 DDCDLO C/C(=C/C(=O)NCc1c(O)cccc1F)C[NH+]1CCOCC1 ZINC000928709723 713469584 /nfs/dbraw/zinc/46/95/84/713469584.db2.gz DXNYOHLRFUQBJT-XFXZXTDPSA-N 1 2 308.353 1.426 20 10 DDCDLO Oc1cnc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)nc1 ZINC001140464564 734452825 /nfs/dbraw/zinc/45/28/25/734452825.db2.gz VKQQRLIIPYWYDQ-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO CNC(=O)C[N@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144299473 772471604 /nfs/dbraw/zinc/47/16/04/772471604.db2.gz XUEGAJGMECHCEO-UHFFFAOYSA-N 1 2 305.147 1.472 20 10 DDCDLO CNC(=O)C[N@@H+](C)Cc1cc(Br)c(F)cc1O ZINC001144299473 772471608 /nfs/dbraw/zinc/47/16/08/772471608.db2.gz XUEGAJGMECHCEO-UHFFFAOYSA-N 1 2 305.147 1.472 20 10 DDCDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccccc1O ZINC001119035402 781305521 /nfs/dbraw/zinc/30/55/21/781305521.db2.gz PGOBZGDSYLXGQF-OLZOCXBDSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccccc1O ZINC001119035402 781305529 /nfs/dbraw/zinc/30/55/29/781305529.db2.gz PGOBZGDSYLXGQF-OLZOCXBDSA-N 1 2 307.394 1.473 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001269916978 842150017 /nfs/dbraw/zinc/15/00/17/842150017.db2.gz BKHSEEUEMGVSCW-SMDDNHRTSA-N 1 2 317.389 1.582 20 10 DDCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001269916978 842150023 /nfs/dbraw/zinc/15/00/23/842150023.db2.gz BKHSEEUEMGVSCW-SMDDNHRTSA-N 1 2 317.389 1.582 20 10 DDCDLO CCCCN1CC2(C[NH+](Cc3ccc(C)cc3O)C2)OCC1=O ZINC001272767117 847400352 /nfs/dbraw/zinc/40/03/52/847400352.db2.gz WYTWJKTWRXQZJI-UHFFFAOYSA-N 1 2 318.417 1.914 20 10 DDCDLO CN1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001274381950 852216319 /nfs/dbraw/zinc/21/63/19/852216319.db2.gz VTDQKUXMUZGICR-UHFFFAOYSA-N 1 2 318.417 1.733 20 10 DDCDLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001274656629 852487351 /nfs/dbraw/zinc/48/73/51/852487351.db2.gz RCAWZFRPSHYELC-HZPDHXFCSA-N 1 2 310.344 1.659 20 10 DDCDLO CCc1ccc(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001274656629 852487356 /nfs/dbraw/zinc/48/73/56/852487356.db2.gz RCAWZFRPSHYELC-HZPDHXFCSA-N 1 2 310.344 1.659 20 10 DDCDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276360351 855723777 /nfs/dbraw/zinc/72/37/77/855723777.db2.gz RVSGTLLSAMCNAX-UHFFFAOYSA-N 1 2 307.369 1.767 20 10 DDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356558 860074603 /nfs/dbraw/zinc/07/46/03/860074603.db2.gz RANDPGFDTHEGOR-INIZCTEOSA-N 1 2 318.417 1.833 20 10 DDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356558 860074609 /nfs/dbraw/zinc/07/46/09/860074609.db2.gz RANDPGFDTHEGOR-INIZCTEOSA-N 1 2 318.417 1.833 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140101594 860575231 /nfs/dbraw/zinc/57/52/31/860575231.db2.gz UVADXVYVYGFCDZ-NSHDSACASA-N 1 2 313.195 1.995 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC001140101594 860575241 /nfs/dbraw/zinc/57/52/41/860575241.db2.gz UVADXVYVYGFCDZ-NSHDSACASA-N 1 2 313.195 1.995 20 10 DDCDLO Oc1cccc(Br)c1C[NH+]1CC(N2CC(F)C2)C1 ZINC001140098980 860575588 /nfs/dbraw/zinc/57/55/88/860575588.db2.gz WDXFEPINTRSCRV-UHFFFAOYSA-N 1 2 315.186 1.993 20 10 DDCDLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203877418 870813962 /nfs/dbraw/zinc/81/39/62/870813962.db2.gz RTMRBCDJJCNQBE-CQSZACIVSA-N 1 2 317.389 1.963 20 10 DDCDLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203877418 870813970 /nfs/dbraw/zinc/81/39/70/870813970.db2.gz RTMRBCDJJCNQBE-CQSZACIVSA-N 1 2 317.389 1.963 20 10 DDCDLO CS(=O)(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204326977 871057246 /nfs/dbraw/zinc/05/72/46/871057246.db2.gz KEACRYJAEPASGY-UHFFFAOYSA-N 1 2 323.462 1.364 20 10 DDCDLO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncc[nH]1 ZINC001207665233 873456003 /nfs/dbraw/zinc/45/60/03/873456003.db2.gz JFHQBGIPCRBBOE-INIZCTEOSA-N 1 2 316.405 1.194 20 10 DDCDLO COc1ccc(C[NH2+]Cc2nnc([C@H]3CCOC3)o2)c(O)c1 ZINC001217718481 877286879 /nfs/dbraw/zinc/28/68/79/877286879.db2.gz KRVIPIHLMVYCJN-NSHDSACASA-N 1 2 305.334 1.578 20 10 DDCDLO C[C@@H](C[NH3+])C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920472 877809774 /nfs/dbraw/zinc/80/97/74/877809774.db2.gz VGKZQVCJGYIOTG-VIFPVBQESA-N 1 2 324.336 1.701 20 10 DDCDLO O=C([C@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(O)c1)N1CCCC1 ZINC001233011531 886725536 /nfs/dbraw/zinc/72/55/36/886725536.db2.gz CMBGOFUVPAVKKB-CYBMUJFWSA-N 1 2 320.389 1.780 20 10 DDCDLO O=C([C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(O)c1)N1CCCC1 ZINC001233011531 886725550 /nfs/dbraw/zinc/72/55/50/886725550.db2.gz CMBGOFUVPAVKKB-CYBMUJFWSA-N 1 2 320.389 1.780 20 10 DDCDLO COc1cc(C[NH+]2CC(C)(CO)C2)c(O)cc1Br ZINC001236748196 889325836 /nfs/dbraw/zinc/32/58/36/889325836.db2.gz NIFFRKDVAPTKBD-UHFFFAOYSA-N 1 2 316.195 1.978 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(N3CCOCC3)C2)c(Cl)c1 ZINC001236800787 889359054 /nfs/dbraw/zinc/35/90/54/889359054.db2.gz XGZQECFYRZGWTB-UHFFFAOYSA-N 1 2 312.797 1.571 20 10 DDCDLO COCC[NH+]1CCN(Cc2ccc(OC)c(Cl)c2O)CC1 ZINC001236802860 889364525 /nfs/dbraw/zinc/36/45/25/889364525.db2.gz WBPYNKZMIAJDBF-UHFFFAOYSA-N 1 2 314.813 1.818 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928088 889425602 /nfs/dbraw/zinc/42/56/02/889425602.db2.gz HDXFQWMYCAVMDP-HNNXBMFYSA-N 1 2 323.824 1.626 20 10 DDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928088 889425607 /nfs/dbraw/zinc/42/56/07/889425607.db2.gz HDXFQWMYCAVMDP-HNNXBMFYSA-N 1 2 323.824 1.626 20 10 DDCDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC001238058249 890004255 /nfs/dbraw/zinc/00/42/55/890004255.db2.gz PNKDXMFVVTUTPF-OAHLLOKOSA-N 1 2 322.380 1.663 20 10 DDCDLO O=C(Nc1nnco1)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278248766 890266952 /nfs/dbraw/zinc/26/69/52/890266952.db2.gz OPBKUBHTYFIKFR-BMIGLBTASA-N 1 2 318.308 1.517 20 10 DDCDLO O=C(Nc1nnco1)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278248766 890266967 /nfs/dbraw/zinc/26/69/67/890266967.db2.gz OPBKUBHTYFIKFR-BMIGLBTASA-N 1 2 318.308 1.517 20 10 DDCDLO O=S1(=O)CCC[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000290373634 222700091 /nfs/dbraw/zinc/70/00/91/222700091.db2.gz HOWRVTLLSUUJAH-SNVBAGLBSA-N 1 2 303.811 1.960 20 10 DDCDLO Cc1cc[nH+]c(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)c1 ZINC000060860968 184156996 /nfs/dbraw/zinc/15/69/96/184156996.db2.gz PFHDIKLKABWYPT-XFFZJAGNSA-N 1 2 318.402 1.585 20 10 DDCDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@H](C(=O)OC)C1 ZINC000272520391 130036911 /nfs/dbraw/zinc/03/69/11/130036911.db2.gz KYFDHDZTLVPPCW-JSGCOSHPSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)[C@H](C(=O)OC)C1 ZINC000272520391 130036914 /nfs/dbraw/zinc/03/69/14/130036914.db2.gz KYFDHDZTLVPPCW-JSGCOSHPSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275747787 130378242 /nfs/dbraw/zinc/37/82/42/130378242.db2.gz RKVMHYOLHJPYDK-UWVGGRQHSA-N 1 2 304.350 1.719 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)nn3)CC2)cc1 ZINC000283569776 131004609 /nfs/dbraw/zinc/00/46/09/131004609.db2.gz OJEYGQGAULIFPR-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nncn3C)CC2)cc1 ZINC000287395604 131278292 /nfs/dbraw/zinc/27/82/92/131278292.db2.gz RNQUMVKMDJBDIT-ZDUSSCGKSA-N 1 2 301.394 1.707 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NCC3CC3)CC2)cc1F ZINC000084866915 407095059 /nfs/dbraw/zinc/09/50/59/407095059.db2.gz MPPBXTYIPJRDBL-UHFFFAOYSA-N 1 2 321.396 1.483 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)C3CC3)CC2)cc1F ZINC000084866124 407095128 /nfs/dbraw/zinc/09/51/28/407095128.db2.gz PZPDZWYWEVQWQA-UHFFFAOYSA-N 1 2 321.396 1.577 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1F ZINC000084866984 407095134 /nfs/dbraw/zinc/09/51/34/407095134.db2.gz RMZUKDLRKQFICS-UHFFFAOYSA-N 1 2 323.412 1.871 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1F ZINC000084867020 407095635 /nfs/dbraw/zinc/09/56/35/407095635.db2.gz PVMPVQDFRYGERE-GFCCVEGCSA-N 1 2 321.396 1.623 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1F ZINC000084866198 407095755 /nfs/dbraw/zinc/09/57/55/407095755.db2.gz RVDPPROJDFUXML-UHFFFAOYSA-N 1 2 323.412 1.729 20 10 DDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000296645271 286839539 /nfs/dbraw/zinc/83/95/39/286839539.db2.gz YKZHBLYYEKTZQV-IUCAKERBSA-N 1 2 322.377 1.649 20 10 DDCDLO CS(=O)(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000134032141 407882582 /nfs/dbraw/zinc/88/25/82/407882582.db2.gz JREZPWKONJPBPU-UHFFFAOYSA-N 1 2 304.799 1.123 20 10 DDCDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)N1 ZINC000193462739 408720624 /nfs/dbraw/zinc/72/06/24/408720624.db2.gz BFCUYPJXXIGKFQ-CQSZACIVSA-N 1 2 309.753 1.220 20 10 DDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278263218 409077646 /nfs/dbraw/zinc/07/76/46/409077646.db2.gz QTDCRALVWLVOHG-NSHDSACASA-N 1 2 310.306 1.446 20 10 DDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278263218 409077649 /nfs/dbraw/zinc/07/76/49/409077649.db2.gz QTDCRALVWLVOHG-NSHDSACASA-N 1 2 310.306 1.446 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000278592349 409085523 /nfs/dbraw/zinc/08/55/23/409085523.db2.gz KNARSEQXKDYYEV-UHFFFAOYSA-N 1 2 319.449 1.822 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000295228780 409385055 /nfs/dbraw/zinc/38/50/55/409385055.db2.gz ZABUBXCLFJWIBP-LLVKDONJSA-N 1 2 324.352 1.031 20 10 DDCDLO C[C@H](O)c1cn(C2C[NH+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000374826107 336997686 /nfs/dbraw/zinc/99/76/86/336997686.db2.gz ZBNZUAGIWPVJBX-VIFPVBQESA-N 1 2 308.769 1.747 20 10 DDCDLO C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715748038 699276903 /nfs/dbraw/zinc/27/69/03/699276903.db2.gz YQDHHBAJXFYECY-LHLIQPBNSA-N 1 2 308.147 1.125 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCn1cncn1 ZINC000715794322 699277263 /nfs/dbraw/zinc/27/72/63/699277263.db2.gz AUOKIKCXVNHJTD-UHFFFAOYSA-N 1 2 315.146 1.675 20 10 DDCDLO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756404241 700619793 /nfs/dbraw/zinc/61/97/93/700619793.db2.gz SBTBKGIZIYBHKH-VIFPVBQESA-N 1 2 322.377 1.603 20 10 DDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448699 701178064 /nfs/dbraw/zinc/17/80/64/701178064.db2.gz VNIQMKLDRKXIQK-OCAGXXPMSA-N 1 2 311.403 1.159 20 10 DDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448699 701178066 /nfs/dbraw/zinc/17/80/66/701178066.db2.gz VNIQMKLDRKXIQK-OCAGXXPMSA-N 1 2 311.403 1.159 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433754 702880782 /nfs/dbraw/zinc/88/07/82/702880782.db2.gz JNTCCEHIRIWWAJ-IUCAKERBSA-N 1 2 317.744 1.541 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433754 702880785 /nfs/dbraw/zinc/88/07/85/702880785.db2.gz JNTCCEHIRIWWAJ-IUCAKERBSA-N 1 2 317.744 1.541 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845929765 703216936 /nfs/dbraw/zinc/21/69/36/703216936.db2.gz FGTSHSGNKFUPBQ-VXGBXAGGSA-N 1 2 303.362 1.993 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000831925036 706804456 /nfs/dbraw/zinc/80/44/56/706804456.db2.gz RLFBYVOQQJARNH-AAEUAGOBSA-N 1 2 315.373 1.604 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858298365 704691353 /nfs/dbraw/zinc/69/13/53/704691353.db2.gz QTSWYJCEYGLEQA-LLVKDONJSA-N 1 2 315.211 1.311 20 10 DDCDLO CC(=O)NC[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835028081 707158264 /nfs/dbraw/zinc/15/82/64/707158264.db2.gz JFFOOGFTXKHIHV-XDXAGZTOSA-N 1 2 317.433 1.603 20 10 DDCDLO CC(=O)NC[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835028081 707158267 /nfs/dbraw/zinc/15/82/67/707158267.db2.gz JFFOOGFTXKHIHV-XDXAGZTOSA-N 1 2 317.433 1.603 20 10 DDCDLO CC(C)(O)C[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876679825 705816008 /nfs/dbraw/zinc/81/60/08/705816008.db2.gz UFYJFHYZCDTBRB-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(F)c(F)c3O)[C@H]2C1 ZINC000877550846 706139931 /nfs/dbraw/zinc/13/99/31/706139931.db2.gz NNISZPZTWKANGY-UONOGXRCSA-N 1 2 312.360 1.965 20 10 DDCDLO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(F)c(F)c3O)[C@H]2C1 ZINC000877550846 706139934 /nfs/dbraw/zinc/13/99/34/706139934.db2.gz NNISZPZTWKANGY-UONOGXRCSA-N 1 2 312.360 1.965 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000877703593 706183104 /nfs/dbraw/zinc/18/31/04/706183104.db2.gz AFMLSJYDRHHCBR-QGZVFWFLSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(OCC)cc2O)CCO1 ZINC000877703593 706183106 /nfs/dbraw/zinc/18/31/06/706183106.db2.gz AFMLSJYDRHHCBR-QGZVFWFLSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000877703684 706183136 /nfs/dbraw/zinc/18/31/36/706183136.db2.gz DDZNSPUPIVMCEH-KRWDZBQOSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2cc(OCC)ccc2O)CCO1 ZINC000877703684 706183137 /nfs/dbraw/zinc/18/31/37/706183137.db2.gz DDZNSPUPIVMCEH-KRWDZBQOSA-N 1 2 323.389 1.945 20 10 DDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000830531625 706532063 /nfs/dbraw/zinc/53/20/63/706532063.db2.gz LSPXMKKPNNNNBB-VXGBXAGGSA-N 1 2 301.346 1.294 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Cl)ccc1O ZINC000883303956 707972237 /nfs/dbraw/zinc/97/22/37/707972237.db2.gz KCPRMUZCOKOCCX-MRVPVSSYSA-N 1 2 321.768 1.231 20 10 DDCDLO CN1CCN(Cc2c(O)ccc(Cl)c2F)CC[N@H+](C)CC1 ZINC000897859208 708472435 /nfs/dbraw/zinc/47/24/35/708472435.db2.gz XDGQRYWWPQIGJZ-UHFFFAOYSA-N 1 2 315.820 1.864 20 10 DDCDLO CN1CCN(Cc2c(O)ccc(Cl)c2F)CC[N@@H+](C)CC1 ZINC000897859208 708472436 /nfs/dbraw/zinc/47/24/36/708472436.db2.gz XDGQRYWWPQIGJZ-UHFFFAOYSA-N 1 2 315.820 1.864 20 10 DDCDLO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000898192499 708570101 /nfs/dbraw/zinc/57/01/01/708570101.db2.gz KFPUKUSRTYMCDA-GDBMZVCRSA-N 1 2 312.360 1.567 20 10 DDCDLO O[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000898192499 708570102 /nfs/dbraw/zinc/57/01/02/708570102.db2.gz KFPUKUSRTYMCDA-GDBMZVCRSA-N 1 2 312.360 1.567 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C)c(O)c1O ZINC000928644199 713248112 /nfs/dbraw/zinc/24/81/12/713248112.db2.gz PBHGVAIBYXRCDQ-LBPRGKRZSA-N 1 2 308.378 1.247 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1F ZINC000895368926 711495685 /nfs/dbraw/zinc/49/56/85/711495685.db2.gz WORJDGLWKICCAO-DOMZBBRYSA-N 1 2 309.385 1.092 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1F ZINC000895368926 711495687 /nfs/dbraw/zinc/49/56/87/711495687.db2.gz WORJDGLWKICCAO-DOMZBBRYSA-N 1 2 309.385 1.092 20 10 DDCDLO COc1ccc(C[N@@H+]2CCc3nccnc3C2)c(O)c1OC ZINC000895457823 711517135 /nfs/dbraw/zinc/51/71/35/711517135.db2.gz UATNGZOPSZSQCH-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO COc1ccc(C[N@H+]2CCc3nccnc3C2)c(O)c1OC ZINC000895457823 711517137 /nfs/dbraw/zinc/51/71/37/711517137.db2.gz UATNGZOPSZSQCH-UHFFFAOYSA-N 1 2 301.346 1.758 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000925609490 714899144 /nfs/dbraw/zinc/89/91/44/714899144.db2.gz UNAWMSZKQCXAST-ZIAGYGMSSA-N 1 2 321.421 1.863 20 10 DDCDLO COc1ccc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC001137387127 766066010 /nfs/dbraw/zinc/06/60/10/766066010.db2.gz WWVCNYJXYGTZJE-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO C[N@@H+]1CCN(Cc2c(O)cccc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001276354302 855712149 /nfs/dbraw/zinc/71/21/49/855712149.db2.gz PWTDQVASBAXGJP-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO C[N@H+]1CCN(Cc2c(O)cccc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001276354302 855712154 /nfs/dbraw/zinc/71/21/54/855712154.db2.gz PWTDQVASBAXGJP-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@H+](Cc2c(O)cccc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001276354302 855712157 /nfs/dbraw/zinc/71/21/57/855712157.db2.gz PWTDQVASBAXGJP-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO CN1CC[N@@H+](Cc2c(O)cccc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001276354302 855712163 /nfs/dbraw/zinc/71/21/63/855712163.db2.gz PWTDQVASBAXGJP-KRWDZBQOSA-N 1 2 321.396 1.318 20 10 DDCDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138857803 860212839 /nfs/dbraw/zinc/21/28/39/860212839.db2.gz KAQFSOSELCTJKT-UHFFFAOYSA-N 1 2 301.346 1.850 20 10 DDCDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001138857803 860212853 /nfs/dbraw/zinc/21/28/53/860212853.db2.gz KAQFSOSELCTJKT-UHFFFAOYSA-N 1 2 301.346 1.850 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140101592 860574877 /nfs/dbraw/zinc/57/48/77/860574877.db2.gz UVADXVYVYGFCDZ-LLVKDONJSA-N 1 2 313.195 1.995 20 10 DDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC001140101592 860574881 /nfs/dbraw/zinc/57/48/81/860574881.db2.gz UVADXVYVYGFCDZ-LLVKDONJSA-N 1 2 313.195 1.995 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001141028225 860765361 /nfs/dbraw/zinc/76/53/61/860765361.db2.gz GOQVUMBTHWXZTC-NSHDSACASA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001141028225 860765364 /nfs/dbraw/zinc/76/53/64/860765364.db2.gz GOQVUMBTHWXZTC-NSHDSACASA-N 1 2 315.391 1.028 20 10 DDCDLO CNC(=O)CC[N@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233029742 886741063 /nfs/dbraw/zinc/74/10/63/886741063.db2.gz HOTMAGXKZJJROK-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CNC(=O)CC[N@@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233029742 886741080 /nfs/dbraw/zinc/74/10/80/886741080.db2.gz HOTMAGXKZJJROK-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001303466320 871125499 /nfs/dbraw/zinc/12/54/99/871125499.db2.gz DLYFMJRIIDVIPH-UHFFFAOYSA-N 1 2 300.322 1.555 20 10 DDCDLO COc1cc(C[N@H+](C)Cc2nnc3ccccn32)c(O)cc1O ZINC001231635117 885772974 /nfs/dbraw/zinc/77/29/74/885772974.db2.gz WADXEJXBNILEHN-UHFFFAOYSA-N 1 2 314.345 1.781 20 10 DDCDLO COc1cc(C[N@@H+](C)Cc2nnc3ccccn32)c(O)cc1O ZINC001231635117 885772982 /nfs/dbraw/zinc/77/29/82/885772982.db2.gz WADXEJXBNILEHN-UHFFFAOYSA-N 1 2 314.345 1.781 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848065 885905256 /nfs/dbraw/zinc/90/52/56/885905256.db2.gz GDHDNUQEBKUUID-INIZCTEOSA-N 1 2 310.369 1.848 20 10 DDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848065 885905272 /nfs/dbraw/zinc/90/52/72/885905272.db2.gz GDHDNUQEBKUUID-INIZCTEOSA-N 1 2 310.369 1.848 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001231849022 885905882 /nfs/dbraw/zinc/90/58/82/885905882.db2.gz MONYRCOGRPDDGN-KRWDZBQOSA-N 1 2 319.449 1.668 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC001232269101 886199383 /nfs/dbraw/zinc/19/93/83/886199383.db2.gz AHYRTCSLKNZXQJ-SNVBAGLBSA-N 1 2 312.753 1.691 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC001232269101 886199387 /nfs/dbraw/zinc/19/93/87/886199387.db2.gz AHYRTCSLKNZXQJ-SNVBAGLBSA-N 1 2 312.753 1.691 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236792104 889355396 /nfs/dbraw/zinc/35/53/96/889355396.db2.gz BUERZWKNXDYLLV-BXKDBHETSA-N 1 2 306.189 1.874 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236792104 889355404 /nfs/dbraw/zinc/35/54/04/889355404.db2.gz BUERZWKNXDYLLV-BXKDBHETSA-N 1 2 306.189 1.874 20 10 DDCDLO CN(C)C(=O)C[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237111949 889507054 /nfs/dbraw/zinc/50/70/54/889507054.db2.gz VWDAOUCRBDNJNZ-UHFFFAOYSA-N 1 2 306.284 1.811 20 10 DDCDLO CN(C)C(=O)C[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237111949 889507062 /nfs/dbraw/zinc/50/70/62/889507062.db2.gz VWDAOUCRBDNJNZ-UHFFFAOYSA-N 1 2 306.284 1.811 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1c(O)ccc(F)c1Cl ZINC001237125369 889512422 /nfs/dbraw/zinc/51/24/22/889512422.db2.gz DDMAAPIBXYZWJU-LLVKDONJSA-N 1 2 316.760 1.474 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1c(O)ccc(F)c1Cl ZINC001237125369 889512440 /nfs/dbraw/zinc/51/24/40/889512440.db2.gz DDMAAPIBXYZWJU-LLVKDONJSA-N 1 2 316.760 1.474 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237125421 889512857 /nfs/dbraw/zinc/51/28/57/889512857.db2.gz ZHJUHPCZBKTAFI-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237125421 889512868 /nfs/dbraw/zinc/51/28/68/889512868.db2.gz ZHJUHPCZBKTAFI-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC001237617536 889762156 /nfs/dbraw/zinc/76/21/56/889762156.db2.gz SHFYOXHTAHFOEV-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC001237617536 889762161 /nfs/dbraw/zinc/76/21/61/889762161.db2.gz SHFYOXHTAHFOEV-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)CCN1C(C)=O ZINC001238066086 890008663 /nfs/dbraw/zinc/00/86/63/890008663.db2.gz HQNGNRBIBOJTDI-AWEZNQCLSA-N 1 2 324.352 1.045 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)CCN1C(C)=O ZINC001238066086 890008680 /nfs/dbraw/zinc/00/86/80/890008680.db2.gz HQNGNRBIBOJTDI-AWEZNQCLSA-N 1 2 324.352 1.045 20 10 DDCDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001262488255 900193590 /nfs/dbraw/zinc/19/35/90/900193590.db2.gz WEZVPGDPUFLFDL-HNNXBMFYSA-N 1 2 316.449 1.397 20 10 DDCDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001262488256 900194039 /nfs/dbraw/zinc/19/40/39/900194039.db2.gz WEZVPGDPUFLFDL-OAHLLOKOSA-N 1 2 316.449 1.397 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c[nH+]cn1C ZINC000185763047 354282586 /nfs/dbraw/zinc/28/25/86/354282586.db2.gz RCSWGBZTBPDTBB-UHFFFAOYSA-N 1 2 300.362 1.454 20 10 DDCDLO Cn1c[nH+]c(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c1 ZINC000619743248 364138026 /nfs/dbraw/zinc/13/80/26/364138026.db2.gz PZGNAPHTIGKVRF-POHAHGRESA-N 1 2 323.312 1.983 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1F ZINC000092006503 193141048 /nfs/dbraw/zinc/14/10/48/193141048.db2.gz XSZSCYLLVYVNAD-MLGOLLRUSA-N 1 2 323.412 1.747 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1F ZINC000092006503 193141049 /nfs/dbraw/zinc/14/10/49/193141049.db2.gz XSZSCYLLVYVNAD-MLGOLLRUSA-N 1 2 323.412 1.747 20 10 DDCDLO COc1ccc(N2CC[NH+](CC(=O)NC(C)C)CC2)cc1F ZINC000084866873 407095544 /nfs/dbraw/zinc/09/55/44/407095544.db2.gz MEFNVCIFADGSCV-UHFFFAOYSA-N 1 2 309.385 1.481 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000125771834 407397286 /nfs/dbraw/zinc/39/72/86/407397286.db2.gz WHNRULJGHMGIQZ-SWLSCSKDSA-N 1 2 310.369 1.654 20 10 DDCDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000125771834 407397288 /nfs/dbraw/zinc/39/72/88/407397288.db2.gz WHNRULJGHMGIQZ-SWLSCSKDSA-N 1 2 310.369 1.654 20 10 DDCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000184691012 408667745 /nfs/dbraw/zinc/66/77/45/408667745.db2.gz YVRHQWJCEYPREN-LLVKDONJSA-N 1 2 318.339 1.941 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c1 ZINC000276241493 408826897 /nfs/dbraw/zinc/82/68/97/408826897.db2.gz OGOLWBMFLMOGTJ-GJZGRUSLSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)c1 ZINC000276241493 408826898 /nfs/dbraw/zinc/82/68/98/408826898.db2.gz OGOLWBMFLMOGTJ-GJZGRUSLSA-N 1 2 309.362 1.289 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000276307820 408833095 /nfs/dbraw/zinc/83/30/95/408833095.db2.gz VIHVHBIEJAVXEU-GDBMZVCRSA-N 1 2 323.389 1.679 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c(O)c1 ZINC000276307820 408833098 /nfs/dbraw/zinc/83/30/98/408833098.db2.gz VIHVHBIEJAVXEU-GDBMZVCRSA-N 1 2 323.389 1.679 20 10 DDCDLO CC[N@H+](CCNCc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278880501 409106659 /nfs/dbraw/zinc/10/66/59/409106659.db2.gz OCAPJQKBCSXAEW-UHFFFAOYSA-N 1 2 309.366 1.883 20 10 DDCDLO CC[N@@H+](CCNCc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278880501 409106660 /nfs/dbraw/zinc/10/66/60/409106660.db2.gz OCAPJQKBCSXAEW-UHFFFAOYSA-N 1 2 309.366 1.883 20 10 DDCDLO COC(=O)CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000374990774 418585197 /nfs/dbraw/zinc/58/51/97/418585197.db2.gz VCTAQEOVYPUQRJ-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO COC(=O)CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000374990774 418585200 /nfs/dbraw/zinc/58/52/00/418585200.db2.gz VCTAQEOVYPUQRJ-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000253294363 222248528 /nfs/dbraw/zinc/24/85/28/222248528.db2.gz GVRSLNKGVVTWCH-STQMWFEESA-N 1 2 313.781 1.852 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000253294363 222248529 /nfs/dbraw/zinc/24/85/29/222248529.db2.gz GVRSLNKGVVTWCH-STQMWFEESA-N 1 2 313.781 1.852 20 10 DDCDLO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000368810366 418725599 /nfs/dbraw/zinc/72/55/99/418725599.db2.gz NMUPLBGSROUJJS-HNNXBMFYSA-N 1 2 314.389 1.926 20 10 DDCDLO CC[C@@H](c1ccccc1O)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000368810366 418725606 /nfs/dbraw/zinc/72/56/06/418725606.db2.gz NMUPLBGSROUJJS-HNNXBMFYSA-N 1 2 314.389 1.926 20 10 DDCDLO COc1cc(O)c(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000775702459 698024597 /nfs/dbraw/zinc/02/45/97/698024597.db2.gz WLXAVNHZWDIWLC-JTQLQIEISA-N 1 2 317.407 1.274 20 10 DDCDLO COc1cc(O)c(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000775702459 698024598 /nfs/dbraw/zinc/02/45/98/698024598.db2.gz WLXAVNHZWDIWLC-JTQLQIEISA-N 1 2 317.407 1.274 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000775713656 698025212 /nfs/dbraw/zinc/02/52/12/698025212.db2.gz WRGSJTXHNWTZRR-HNNXBMFYSA-N 1 2 323.389 1.943 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000775713656 698025217 /nfs/dbraw/zinc/02/52/17/698025217.db2.gz WRGSJTXHNWTZRR-HNNXBMFYSA-N 1 2 323.389 1.943 20 10 DDCDLO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775995753 698058848 /nfs/dbraw/zinc/05/88/48/698058848.db2.gz BZDKMNXLMWSGPX-SNVBAGLBSA-N 1 2 302.777 1.995 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000750048237 700200525 /nfs/dbraw/zinc/20/05/25/700200525.db2.gz WPGGHYOMEIMXGU-CYBMUJFWSA-N 1 2 310.781 1.911 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000750048237 700200527 /nfs/dbraw/zinc/20/05/27/700200527.db2.gz WPGGHYOMEIMXGU-CYBMUJFWSA-N 1 2 310.781 1.911 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000715747270 699276832 /nfs/dbraw/zinc/27/68/32/699276832.db2.gz YYBQRBDWVKKUBJ-LBPRGKRZSA-N 1 2 320.158 1.535 20 10 DDCDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000726257802 699357439 /nfs/dbraw/zinc/35/74/39/699357439.db2.gz SPTVTBZHMGPGMR-CYBMUJFWSA-N 1 2 307.394 1.254 20 10 DDCDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000726257802 699357443 /nfs/dbraw/zinc/35/74/43/699357443.db2.gz SPTVTBZHMGPGMR-CYBMUJFWSA-N 1 2 307.394 1.254 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC(F)F)[C@H](O)CO2 ZINC000795729545 699886975 /nfs/dbraw/zinc/88/69/75/699886975.db2.gz OREIESCTHSZACH-GXFFZTMASA-N 1 2 315.316 1.674 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1CC(F)F)[C@H](O)CO2 ZINC000795729545 699886977 /nfs/dbraw/zinc/88/69/77/699886977.db2.gz OREIESCTHSZACH-GXFFZTMASA-N 1 2 315.316 1.674 20 10 DDCDLO OC[C@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802660541 700416451 /nfs/dbraw/zinc/41/64/51/700416451.db2.gz OTHUVDLNZXVTCZ-INIZCTEOSA-N 1 2 312.360 1.569 20 10 DDCDLO OC[C@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802660541 700416454 /nfs/dbraw/zinc/41/64/54/700416454.db2.gz OTHUVDLNZXVTCZ-INIZCTEOSA-N 1 2 312.360 1.569 20 10 DDCDLO CCOc1ccc(C[N@H+](C)Cc2nc(CCOC)no2)c(O)c1 ZINC000769468077 701246066 /nfs/dbraw/zinc/24/60/66/701246066.db2.gz GFXBDVUVDNSJLA-UHFFFAOYSA-N 1 2 321.377 1.995 20 10 DDCDLO CCOc1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)c(O)c1 ZINC000769468077 701246068 /nfs/dbraw/zinc/24/60/68/701246068.db2.gz GFXBDVUVDNSJLA-UHFFFAOYSA-N 1 2 321.377 1.995 20 10 DDCDLO COCC(COC)[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC000840955738 702292280 /nfs/dbraw/zinc/29/22/80/702292280.db2.gz YMOPAWGBHGMNAR-UHFFFAOYSA-N 1 2 308.422 1.480 20 10 DDCDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463144 706686378 /nfs/dbraw/zinc/68/63/78/706686378.db2.gz AHEONKZLRMJGCN-ZDUSSCGKSA-N 1 2 307.394 1.090 20 10 DDCDLO CN(CC(=O)N1CC[NH2+]CC1)Cc1c(O)ccc(Cl)c1F ZINC000843045003 702807274 /nfs/dbraw/zinc/80/72/74/702807274.db2.gz PWZQXRCLEZLVBW-UHFFFAOYSA-N 1 2 315.776 1.048 20 10 DDCDLO Fc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1N1CCOCC1 ZINC000857877956 704636209 /nfs/dbraw/zinc/63/62/09/704636209.db2.gz SHGPOPYVMXQTLS-UHFFFAOYSA-N 1 2 316.380 1.944 20 10 DDCDLO Fc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1N1CCOCC1 ZINC000857877956 704636210 /nfs/dbraw/zinc/63/62/10/704636210.db2.gz SHGPOPYVMXQTLS-UHFFFAOYSA-N 1 2 316.380 1.944 20 10 DDCDLO COc1ccc(N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000822920280 705082488 /nfs/dbraw/zinc/08/24/88/705082488.db2.gz YPLVZAPDBLQDPL-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO C[C@@H](O)C(=O)N1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835028022 707158353 /nfs/dbraw/zinc/15/83/53/707158353.db2.gz IHDHCSQGNPIJOU-FOSCPCJNSA-N 1 2 317.433 1.291 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1O ZINC000825338605 705648931 /nfs/dbraw/zinc/64/89/31/705648931.db2.gz QZLJOZMZEIQPQF-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1O ZINC000825338605 705648936 /nfs/dbraw/zinc/64/89/36/705648936.db2.gz QZLJOZMZEIQPQF-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000825446648 705672503 /nfs/dbraw/zinc/67/25/03/705672503.db2.gz MSYHSLIWOGUZKL-NSHDSACASA-N 1 2 309.753 1.090 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000825446648 705672507 /nfs/dbraw/zinc/67/25/07/705672507.db2.gz MSYHSLIWOGUZKL-NSHDSACASA-N 1 2 309.753 1.090 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608700 706158417 /nfs/dbraw/zinc/15/84/17/706158417.db2.gz VCCSRCAOABPJJE-NXEZZACHSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608700 706158419 /nfs/dbraw/zinc/15/84/19/706158419.db2.gz VCCSRCAOABPJJE-NXEZZACHSA-N 1 2 301.289 1.026 20 10 DDCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](CO)C1 ZINC000877644778 706168298 /nfs/dbraw/zinc/16/82/98/706168298.db2.gz TYTDCVUVGYIRIV-NSHDSACASA-N 1 2 305.205 1.807 20 10 DDCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](CO)C1 ZINC000877644778 706168302 /nfs/dbraw/zinc/16/83/02/706168302.db2.gz TYTDCVUVGYIRIV-NSHDSACASA-N 1 2 305.205 1.807 20 10 DDCDLO C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccccc1O ZINC000877755661 706199961 /nfs/dbraw/zinc/19/99/61/706199961.db2.gz KJZCHJBULZPYJP-LLVKDONJSA-N 1 2 324.406 1.094 20 10 DDCDLO CCN(C)c1ccc(Cn2cc(C[N@H+](C)CCO)nn2)cc1 ZINC000881315962 707193183 /nfs/dbraw/zinc/19/31/83/707193183.db2.gz SQCHTRYTDNRMTR-UHFFFAOYSA-N 1 2 303.410 1.207 20 10 DDCDLO CCN(C)c1ccc(Cn2cc(C[N@@H+](C)CCO)nn2)cc1 ZINC000881315962 707193185 /nfs/dbraw/zinc/19/31/85/707193185.db2.gz SQCHTRYTDNRMTR-UHFFFAOYSA-N 1 2 303.410 1.207 20 10 DDCDLO C/C(=C\C(=O)NCc1cc(C)ccc1O)C[NH+]1CCOCC1 ZINC000913000860 713142330 /nfs/dbraw/zinc/14/23/30/713142330.db2.gz XXYBLCIXZNTKBL-GXDHUFHOSA-N 1 2 304.390 1.595 20 10 DDCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000893946444 710896071 /nfs/dbraw/zinc/89/60/71/710896071.db2.gz OYVBZKSCVDIPJD-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000894048664 710943337 /nfs/dbraw/zinc/94/33/37/710943337.db2.gz AKDGHGBPSGMDLG-OAQYLSRUSA-N 1 2 318.389 1.167 20 10 DDCDLO COc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(O)c1OC ZINC000895135969 711429132 /nfs/dbraw/zinc/42/91/32/711429132.db2.gz PQYSWWVHEMAFFB-OUAUKWLOSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(O)c1OC ZINC000895135969 711429136 /nfs/dbraw/zinc/42/91/36/711429136.db2.gz PQYSWWVHEMAFFB-OUAUKWLOSA-N 1 2 308.378 1.507 20 10 DDCDLO C/C(=C/C(=O)N1Cc2cccc(O)c2C1)C[NH+]1CCOCC1 ZINC000913726132 713289872 /nfs/dbraw/zinc/28/98/72/713289872.db2.gz IQMKAFSXQAFTIH-LCYFTJDESA-N 1 2 302.374 1.513 20 10 DDCDLO C[C@H](CNC(=O)NCc1c(O)cccc1F)[NH+]1CCOCC1 ZINC000914067124 713337492 /nfs/dbraw/zinc/33/74/92/713337492.db2.gz LMLSQGBMGHXSCL-LLVKDONJSA-N 1 2 311.357 1.051 20 10 DDCDLO Nc1ccc(CCC(=O)NCC(=O)c2ccc(O)c(O)c2)c[nH+]1 ZINC001183936446 743930950 /nfs/dbraw/zinc/93/09/50/743930950.db2.gz SLMVZGFHZXJHHG-UHFFFAOYSA-N 1 2 315.329 1.007 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCCOCC1 ZINC001170770923 771175666 /nfs/dbraw/zinc/17/56/66/771175666.db2.gz LVLOMXQUVWUSAE-OLZOCXBDSA-N 1 2 309.362 1.341 20 10 DDCDLO Cc1[nH]c2c([nH+]1)CCN(C(=O)c1cc(O)c(O)c(O)c1)CC2 ZINC001148583083 773538372 /nfs/dbraw/zinc/53/83/72/773538372.db2.gz RXJFBQUNHSKICE-UHFFFAOYSA-N 1 2 303.318 1.076 20 10 DDCDLO Oc1cc(F)cc(F)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140585229 860658613 /nfs/dbraw/zinc/65/86/13/860658613.db2.gz AEOGECXFRNVBQO-ZDUSSCGKSA-N 1 2 312.360 1.967 20 10 DDCDLO NC(=O)COC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001319827653 866321354 /nfs/dbraw/zinc/32/13/54/866321354.db2.gz UQUZBHOEHAHOOU-UHFFFAOYSA-N 1 2 316.760 1.651 20 10 DDCDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879328 870816425 /nfs/dbraw/zinc/81/64/25/870816425.db2.gz OFYMMLLTWXPLNT-ZDUSSCGKSA-N 1 2 303.362 1.573 20 10 DDCDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879328 870816432 /nfs/dbraw/zinc/81/64/32/870816432.db2.gz OFYMMLLTWXPLNT-ZDUSSCGKSA-N 1 2 303.362 1.573 20 10 DDCDLO COc1cc(CN2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)cc(O)c1O ZINC001204350168 871072485 /nfs/dbraw/zinc/07/24/85/871072485.db2.gz DRSHUFHDXDYSTC-RYUDHWBXSA-N 1 2 322.405 1.400 20 10 DDCDLO COC(=O)NC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001344568614 873042080 /nfs/dbraw/zinc/04/20/80/873042080.db2.gz NINXLVVOAWHBFP-UHFFFAOYSA-N 1 2 305.378 1.063 20 10 DDCDLO C[NH2+]CCC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218918758 877805850 /nfs/dbraw/zinc/80/58/50/877805850.db2.gz FCRNUYNPOHXXJB-UHFFFAOYSA-N 1 2 324.336 1.716 20 10 DDCDLO COC(=O)C1(O)CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263749 886196621 /nfs/dbraw/zinc/19/66/21/886196621.db2.gz VHNAUGMLQVIJEH-UHFFFAOYSA-N 1 2 315.753 1.251 20 10 DDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ccncn2)CC1 ZINC001233335867 886927762 /nfs/dbraw/zinc/92/77/62/886927762.db2.gz PAYSHCFEYQIPHI-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(Cl)c1 ZINC001236804779 889364131 /nfs/dbraw/zinc/36/41/31/889364131.db2.gz ZGERYYPDWMRZQQ-SNVBAGLBSA-N 1 2 310.781 1.861 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(Cl)c1 ZINC001236804779 889364143 /nfs/dbraw/zinc/36/41/43/889364143.db2.gz ZGERYYPDWMRZQQ-SNVBAGLBSA-N 1 2 310.781 1.861 20 10 DDCDLO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000191191591 299294448 /nfs/dbraw/zinc/29/44/48/299294448.db2.gz NYMYPYIAZZGXIL-QMMMGPOBSA-N 1 2 308.350 1.260 20 10 DDCDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355189 130022573 /nfs/dbraw/zinc/02/25/73/130022573.db2.gz PALFPKDOAJYRBC-ZBFHGGJFSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272355189 130022574 /nfs/dbraw/zinc/02/25/74/130022574.db2.gz PALFPKDOAJYRBC-ZBFHGGJFSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(Cl)c1O ZINC000287610291 131290014 /nfs/dbraw/zinc/29/00/14/131290014.db2.gz JBXDYZUXJWQKOK-LLVKDONJSA-N 1 2 311.769 1.638 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276578822 408887260 /nfs/dbraw/zinc/88/72/60/408887260.db2.gz LFWACGRMUJXMPK-UHFFFAOYSA-N 1 2 305.309 1.980 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278205122 409078063 /nfs/dbraw/zinc/07/80/63/409078063.db2.gz JOTIYDZGTGHOOV-SNVBAGLBSA-N 1 2 323.349 1.362 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCN(C(C)=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278205122 409078064 /nfs/dbraw/zinc/07/80/64/409078064.db2.gz JOTIYDZGTGHOOV-SNVBAGLBSA-N 1 2 323.349 1.362 20 10 DDCDLO CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1cccc(Cl)c1O ZINC000287801337 409095394 /nfs/dbraw/zinc/09/53/94/409095394.db2.gz UDTLPNIKCMLIGT-LLVKDONJSA-N 1 2 306.815 1.636 20 10 DDCDLO COc1cccc(CNc2cc(NC[C@H](C)O)[nH+]cn2)c1O ZINC000298195504 410129577 /nfs/dbraw/zinc/12/95/77/410129577.db2.gz HSSOTDRMOGDKLE-JTQLQIEISA-N 1 2 304.350 1.596 20 10 DDCDLO COc1cccc(CNc2cc(NC[C@H](C)O)nc[nH+]2)c1O ZINC000298195504 410129585 /nfs/dbraw/zinc/12/95/85/410129585.db2.gz HSSOTDRMOGDKLE-JTQLQIEISA-N 1 2 304.350 1.596 20 10 DDCDLO COc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c(O)c1 ZINC000373660761 418443473 /nfs/dbraw/zinc/44/34/73/418443473.db2.gz QEFSSILMVBXBDN-UHFFFAOYSA-N 1 2 320.389 1.272 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373732381 418453727 /nfs/dbraw/zinc/45/37/27/418453727.db2.gz FDIWOTUEZLMOBM-AAEUAGOBSA-N 1 2 315.373 1.604 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000378346025 418721600 /nfs/dbraw/zinc/72/16/00/418721600.db2.gz CCVUGLVFWMVDCN-HOTGVXAUSA-N 1 2 320.433 1.822 20 10 DDCDLO COC(=O)COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492765325 420656854 /nfs/dbraw/zinc/65/68/54/420656854.db2.gz LQUFJDXSNQQKTB-BAQGIRSFSA-N 1 2 315.329 1.638 20 10 DDCDLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273469374 290036707 /nfs/dbraw/zinc/03/67/07/290036707.db2.gz JIOOQAUOEUBQGM-TVQRCGJNSA-N 1 2 306.322 1.418 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)C1([NH+]2CCOCC2)CCC1 ZINC000363692413 332224113 /nfs/dbraw/zinc/22/41/13/332224113.db2.gz VWYQZQFQEUMISL-UHFFFAOYSA-N 1 2 320.389 1.011 20 10 DDCDLO C[C@H](c1nnnn1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000188639118 526191105 /nfs/dbraw/zinc/19/11/05/526191105.db2.gz UTMCSSVOXLUMDF-CYBMUJFWSA-N 1 2 316.409 1.240 20 10 DDCDLO C[C@H](c1nnnn1C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000188639118 526191107 /nfs/dbraw/zinc/19/11/07/526191107.db2.gz UTMCSSVOXLUMDF-CYBMUJFWSA-N 1 2 316.409 1.240 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000133598414 696827917 /nfs/dbraw/zinc/82/79/17/696827917.db2.gz VFNMXRAXEHUDRT-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000133598414 696827920 /nfs/dbraw/zinc/82/79/20/696827920.db2.gz VFNMXRAXEHUDRT-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090385 697962239 /nfs/dbraw/zinc/96/22/39/697962239.db2.gz SXXNNUDFAWILRK-SKDRFNHKSA-N 1 2 323.349 1.395 20 10 DDCDLO COc1c(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000775090385 697962242 /nfs/dbraw/zinc/96/22/42/697962242.db2.gz SXXNNUDFAWILRK-SKDRFNHKSA-N 1 2 323.349 1.395 20 10 DDCDLO O=S1(=O)CC(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000787416250 699211000 /nfs/dbraw/zinc/21/10/00/699211000.db2.gz ABMGUSMBJKLBOL-UHFFFAOYSA-N 1 2 307.774 1.709 20 10 DDCDLO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000761679502 700866725 /nfs/dbraw/zinc/86/67/25/700866725.db2.gz FNIIUSBHVRVWSF-HNNXBMFYSA-N 1 2 302.378 1.702 20 10 DDCDLO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000761679502 700866727 /nfs/dbraw/zinc/86/67/27/700866727.db2.gz FNIIUSBHVRVWSF-HNNXBMFYSA-N 1 2 302.378 1.702 20 10 DDCDLO COc1ccc(CNc2cc(NC[C@H](C)O)[nH+]cn2)c(O)c1 ZINC000840295153 702059119 /nfs/dbraw/zinc/05/91/19/702059119.db2.gz BTOFYAGDXADELJ-JTQLQIEISA-N 1 2 304.350 1.596 20 10 DDCDLO COc1ccc(CNc2cc(NC[C@H](C)O)nc[nH+]2)c(O)c1 ZINC000840295153 702059126 /nfs/dbraw/zinc/05/91/26/702059126.db2.gz BTOFYAGDXADELJ-JTQLQIEISA-N 1 2 304.350 1.596 20 10 DDCDLO NC(=O)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816499441 702098422 /nfs/dbraw/zinc/09/84/22/702098422.db2.gz QCYXVRMVJQGNHT-UHFFFAOYSA-N 1 2 301.749 1.771 20 10 DDCDLO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(F)cc(F)c1O ZINC000840885818 702271129 /nfs/dbraw/zinc/27/11/29/702271129.db2.gz ZDGYYDQIGWTOOZ-MRVPVSSYSA-N 1 2 305.346 1.898 20 10 DDCDLO C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000841792316 702568701 /nfs/dbraw/zinc/56/87/01/702568701.db2.gz AJPWCBDOLQEXPA-KGLIPLIRSA-N 1 2 320.437 1.220 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nncn2C)cc1 ZINC000844402937 703026963 /nfs/dbraw/zinc/02/69/63/703026963.db2.gz XFHVRRRJQDBBKD-ZDUSSCGKSA-N 1 2 303.410 1.953 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nncn2C)cc1 ZINC000844402937 703026965 /nfs/dbraw/zinc/02/69/65/703026965.db2.gz XFHVRRRJQDBBKD-ZDUSSCGKSA-N 1 2 303.410 1.953 20 10 DDCDLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccccc1O ZINC000876616561 705785313 /nfs/dbraw/zinc/78/53/13/705785313.db2.gz ZSCIKBOOHBCXNV-ZDUSSCGKSA-N 1 2 302.378 1.652 20 10 DDCDLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccccc1O ZINC000876616561 705785316 /nfs/dbraw/zinc/78/53/16/705785316.db2.gz ZSCIKBOOHBCXNV-ZDUSSCGKSA-N 1 2 302.378 1.652 20 10 DDCDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877352092 706076873 /nfs/dbraw/zinc/07/68/73/706076873.db2.gz AWBRNTCKOLIKQZ-NSHDSACASA-N 1 2 311.332 1.706 20 10 DDCDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877352092 706076875 /nfs/dbraw/zinc/07/68/75/706076875.db2.gz AWBRNTCKOLIKQZ-NSHDSACASA-N 1 2 311.332 1.706 20 10 DDCDLO CC(=O)c1cc(F)cc(Cn2cc(C[NH+]3CCCC3)nn2)c1O ZINC000880995357 707104786 /nfs/dbraw/zinc/10/47/86/707104786.db2.gz UVHJAJCFYHWSES-UHFFFAOYSA-N 1 2 318.352 1.970 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000835026328 707157658 /nfs/dbraw/zinc/15/76/58/707157658.db2.gz UYVLJINZZIAWOP-DWTRPJMMSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000835026328 707157659 /nfs/dbraw/zinc/15/76/59/707157659.db2.gz UYVLJINZZIAWOP-DWTRPJMMSA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000835050208 707162007 /nfs/dbraw/zinc/16/20/07/707162007.db2.gz QBGFEKGJYULYSZ-APHBUQMISA-N 1 2 308.447 1.885 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000835050208 707162009 /nfs/dbraw/zinc/16/20/09/707162009.db2.gz QBGFEKGJYULYSZ-APHBUQMISA-N 1 2 308.447 1.885 20 10 DDCDLO CC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(F)cc1O ZINC000886704596 708818276 /nfs/dbraw/zinc/81/82/76/708818276.db2.gz JVULTAYQBLLYGP-NSHDSACASA-N 1 2 317.324 1.503 20 10 DDCDLO COc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(O)c1O ZINC001193097626 745976710 /nfs/dbraw/zinc/97/67/10/745976710.db2.gz JPYPQBCLYLSKQR-SNVBAGLBSA-N 1 2 317.345 1.849 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001180128340 779633035 /nfs/dbraw/zinc/63/30/35/779633035.db2.gz KIQFSJKYNLWGFR-FSNWXROXSA-N 1 2 303.406 1.213 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001180128340 779633040 /nfs/dbraw/zinc/63/30/40/779633040.db2.gz KIQFSJKYNLWGFR-FSNWXROXSA-N 1 2 303.406 1.213 20 10 DDCDLO CCOc1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)c(O)c1 ZINC001119451042 781458555 /nfs/dbraw/zinc/45/85/55/781458555.db2.gz UFYLCRMDDJHCSJ-UHFFFAOYSA-N 1 2 317.393 1.227 20 10 DDCDLO CCOc1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c(O)c1 ZINC001119451042 781458556 /nfs/dbraw/zinc/45/85/56/781458556.db2.gz UFYLCRMDDJHCSJ-UHFFFAOYSA-N 1 2 317.393 1.227 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC001123886818 859456612 /nfs/dbraw/zinc/45/66/12/859456612.db2.gz TUDBUOAYHDRCOG-CQSZACIVSA-N 1 2 320.437 1.136 20 10 DDCDLO CC(C)(O)C[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139689682 860453223 /nfs/dbraw/zinc/45/32/23/860453223.db2.gz JWVAPNZPNFFZEE-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO C[S@](=N)(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001330651800 864512363 /nfs/dbraw/zinc/51/23/63/864512363.db2.gz IMGYXJKBZOGKRS-JOCHJYFZSA-N 1 2 322.478 1.996 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635648 867707867 /nfs/dbraw/zinc/70/78/67/867707867.db2.gz CQXKZTYMZBQHHC-DLBZAZTESA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321635648 867707875 /nfs/dbraw/zinc/70/78/75/867707875.db2.gz CQXKZTYMZBQHHC-DLBZAZTESA-N 1 2 318.417 1.785 20 10 DDCDLO COc1cccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203878553 870812595 /nfs/dbraw/zinc/81/25/95/870812595.db2.gz CAVLOBPCMDHZNE-UHFFFAOYSA-N 1 2 315.373 1.824 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(OC)c1 ZINC001206674568 872502226 /nfs/dbraw/zinc/50/22/26/872502226.db2.gz DNUXJZBXWJRTNM-CYBMUJFWSA-N 1 2 302.321 1.578 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC(F)(F)[C@H](N)C2)c(OC)c1 ZINC001206674568 872502234 /nfs/dbraw/zinc/50/22/34/872502234.db2.gz DNUXJZBXWJRTNM-CYBMUJFWSA-N 1 2 302.321 1.578 20 10 DDCDLO O=C(NCC1COC1)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483751 885179766 /nfs/dbraw/zinc/17/97/66/885179766.db2.gz AMZNSDSOYCMIJE-ZDUSSCGKSA-N 1 2 320.364 1.116 20 10 DDCDLO COCC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC[NH+](C)CC1 ZINC001231564507 885734986 /nfs/dbraw/zinc/73/49/86/885734986.db2.gz RWVOYBGEHHIZBP-UHFFFAOYSA-N 1 2 322.405 1.633 20 10 DDCDLO COCC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC[NH+](C)CC1 ZINC001231564507 885734993 /nfs/dbraw/zinc/73/49/93/885734993.db2.gz RWVOYBGEHHIZBP-UHFFFAOYSA-N 1 2 322.405 1.633 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)cn3)CC2)cc1 ZINC001231933955 885952401 /nfs/dbraw/zinc/95/24/01/885952401.db2.gz NQFKDXQIEYIJPX-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC3(COC3)C2)c(Br)c1 ZINC001237058708 889487119 /nfs/dbraw/zinc/48/71/19/889487119.db2.gz BHDVHWBOJCYKCR-UHFFFAOYSA-N 1 2 314.179 1.996 20 10 DDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078701 889497949 /nfs/dbraw/zinc/49/79/49/889497949.db2.gz WOIRZTGHRDEORH-GZMMTYOYSA-N 1 2 306.189 1.874 20 10 DDCDLO COc1cc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)c(OC)c1 ZINC001237675265 889797293 /nfs/dbraw/zinc/79/72/93/889797293.db2.gz VBPRUTIQUXXKQC-ZFWWWQNUSA-N 1 2 317.332 1.654 20 10 DDCDLO COc1cc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)c(OC)c1 ZINC001237675265 889797296 /nfs/dbraw/zinc/79/72/96/889797296.db2.gz VBPRUTIQUXXKQC-ZFWWWQNUSA-N 1 2 317.332 1.654 20 10 DDCDLO COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(O)c(OC)c1 ZINC001237683726 889802682 /nfs/dbraw/zinc/80/26/82/889802682.db2.gz JKFNUHKZTKTMTB-TXEJJXNPSA-N 1 2 307.346 1.057 20 10 DDCDLO COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(O)c(OC)c1 ZINC001237683726 889802691 /nfs/dbraw/zinc/80/26/91/889802691.db2.gz JKFNUHKZTKTMTB-TXEJJXNPSA-N 1 2 307.346 1.057 20 10 DDCDLO COC(=O)Cc1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001249177571 893856646 /nfs/dbraw/zinc/85/66/46/893856646.db2.gz DPOPEDLFYHPRSV-UHFFFAOYSA-N 1 2 323.389 1.881 20 10 DDCDLO COC(=O)Cc1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001249177571 893856661 /nfs/dbraw/zinc/85/66/61/893856661.db2.gz DPOPEDLFYHPRSV-UHFFFAOYSA-N 1 2 323.389 1.881 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275747789 130377731 /nfs/dbraw/zinc/37/77/31/130377731.db2.gz RKVMHYOLHJPYDK-ZJUUUORDSA-N 1 2 304.350 1.719 20 10 DDCDLO COc1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)cc1F ZINC000084866434 407095771 /nfs/dbraw/zinc/09/57/71/407095771.db2.gz ZXVSXQOWHAUUQY-UHFFFAOYSA-N 1 2 304.369 1.890 20 10 DDCDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093810353 407203161 /nfs/dbraw/zinc/20/31/61/407203161.db2.gz ZDTNBRIEULCYFJ-LLVKDONJSA-N 1 2 302.334 1.587 20 10 DDCDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093810353 407203164 /nfs/dbraw/zinc/20/31/64/407203164.db2.gz ZDTNBRIEULCYFJ-LLVKDONJSA-N 1 2 302.334 1.587 20 10 DDCDLO CCCOc1ccc(C[N@H+](CCOC)CC(=O)OC)c(O)c1 ZINC000271154998 407544460 /nfs/dbraw/zinc/54/44/60/407544460.db2.gz AXGJWVWHWWAVHR-UHFFFAOYSA-N 1 2 311.378 1.802 20 10 DDCDLO CCCOc1ccc(C[N@@H+](CCOC)CC(=O)OC)c(O)c1 ZINC000271154998 407544463 /nfs/dbraw/zinc/54/44/63/407544463.db2.gz AXGJWVWHWWAVHR-UHFFFAOYSA-N 1 2 311.378 1.802 20 10 DDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1F ZINC000136004905 408067718 /nfs/dbraw/zinc/06/77/18/408067718.db2.gz GOCZMNBSXVBVAM-ZDUSSCGKSA-N 1 2 316.380 1.967 20 10 DDCDLO COc1c(O)c(C[N@H+](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000278216926 409077405 /nfs/dbraw/zinc/07/74/05/409077405.db2.gz LCSBJTPEQPCLCJ-UHFFFAOYSA-N 1 2 304.306 1.731 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000278216926 409077408 /nfs/dbraw/zinc/07/74/08/409077408.db2.gz LCSBJTPEQPCLCJ-UHFFFAOYSA-N 1 2 304.306 1.731 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000279045552 409137905 /nfs/dbraw/zinc/13/79/05/409137905.db2.gz BXRCJLOXKPDRHU-BPJJOFIESA-N 1 2 320.389 1.290 20 10 DDCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000295406849 409470598 /nfs/dbraw/zinc/47/05/98/409470598.db2.gz WAXZRMNPUOIMOL-GHMZBOCLSA-N 1 2 324.352 1.172 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302882620 410885686 /nfs/dbraw/zinc/88/56/86/410885686.db2.gz KBSOHMWUHFVMHS-UHFFFAOYSA-N 1 2 311.393 1.932 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000188840306 222029347 /nfs/dbraw/zinc/02/93/47/222029347.db2.gz PNBCWTBMCLSRKJ-UHFFFAOYSA-N 1 2 313.405 1.394 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188612430 222020047 /nfs/dbraw/zinc/02/00/47/222020047.db2.gz ARSWSCYPKVWIEO-DLBZAZTESA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188612430 222020052 /nfs/dbraw/zinc/02/00/52/222020052.db2.gz ARSWSCYPKVWIEO-DLBZAZTESA-N 1 2 318.417 1.785 20 10 DDCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CC(N)=O)C2=O)c1 ZINC000776725761 698133509 /nfs/dbraw/zinc/13/35/09/698133509.db2.gz FEJSPGOUJKXTPH-YHYXMXQVSA-N 1 2 323.399 1.085 20 10 DDCDLO CN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708071491 699248468 /nfs/dbraw/zinc/24/84/68/699248468.db2.gz BLMIJUSWWSBVLQ-UHFFFAOYSA-N 1 2 321.602 1.986 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000715747269 699276836 /nfs/dbraw/zinc/27/68/36/699276836.db2.gz YYBQRBDWVKKUBJ-GFCCVEGCSA-N 1 2 320.158 1.535 20 10 DDCDLO COc1c(O)c(C[N@H+](C)Cc2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000790937091 699603995 /nfs/dbraw/zinc/60/39/95/699603995.db2.gz GAKBJKPHAOMIHX-UHFFFAOYSA-N 1 2 320.349 1.983 20 10 DDCDLO COc1c(O)c(C[N@@H+](C)Cc2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000790937091 699603996 /nfs/dbraw/zinc/60/39/96/699603996.db2.gz GAKBJKPHAOMIHX-UHFFFAOYSA-N 1 2 320.349 1.983 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC000793689177 699772349 /nfs/dbraw/zinc/77/23/49/699772349.db2.gz LANSVWJDZAUGBF-NSHDSACASA-N 1 2 303.362 1.944 20 10 DDCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464817 701180603 /nfs/dbraw/zinc/18/06/03/701180603.db2.gz VVBIJCJNFHBDFL-HZMBPMFUSA-N 1 2 309.362 1.590 20 10 DDCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464817 701180605 /nfs/dbraw/zinc/18/06/05/701180605.db2.gz VVBIJCJNFHBDFL-HZMBPMFUSA-N 1 2 309.362 1.590 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)CCN1Cc1c(O)ccc(Cl)c1F ZINC000825336989 705649269 /nfs/dbraw/zinc/64/92/69/705649269.db2.gz BVSTXLQKIXOUJP-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)CCN1Cc1c(O)ccc(Cl)c1F ZINC000825336989 705649273 /nfs/dbraw/zinc/64/92/73/705649273.db2.gz BVSTXLQKIXOUJP-SNVBAGLBSA-N 1 2 302.777 1.683 20 10 DDCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc(C(N)=O)cs1 ZINC000827326539 705975824 /nfs/dbraw/zinc/97/58/24/705975824.db2.gz HKENAWQSDGFBDT-UHFFFAOYSA-N 1 2 304.419 1.906 20 10 DDCDLO C[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CCC(=O)N1 ZINC000835060835 707165379 /nfs/dbraw/zinc/16/53/79/707165379.db2.gz OECVXNRBXZYOKI-ZDUSSCGKSA-N 1 2 313.195 1.913 20 10 DDCDLO C/C(=C/C(=O)NCc1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000899983215 709257981 /nfs/dbraw/zinc/25/79/81/709257981.db2.gz NWCQUZWHZVONEY-QINSGFPZSA-N 1 2 317.433 1.647 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)c(O)c1OC ZINC000894252971 711037784 /nfs/dbraw/zinc/03/77/84/711037784.db2.gz DURDTGVMFDESHT-INIZCTEOSA-N 1 2 309.362 1.401 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)c(O)c1OC ZINC000894252971 711037787 /nfs/dbraw/zinc/03/77/87/711037787.db2.gz DURDTGVMFDESHT-INIZCTEOSA-N 1 2 309.362 1.401 20 10 DDCDLO OCC[NH+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000895390268 711500844 /nfs/dbraw/zinc/50/08/44/711500844.db2.gz VRBIOUXRIBMBHY-UHFFFAOYSA-N 1 2 324.602 1.595 20 10 DDCDLO NC(=O)c1csc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922254365 714002798 /nfs/dbraw/zinc/00/27/98/714002798.db2.gz PODVLSALXSJZHP-UHFFFAOYSA-N 1 2 303.387 1.857 20 10 DDCDLO CCN(C)C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184354619 744029390 /nfs/dbraw/zinc/02/93/90/744029390.db2.gz IITGXEDWTORLTH-UHFFFAOYSA-N 1 2 318.373 1.717 20 10 DDCDLO CCN(C)C(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184354619 744029395 /nfs/dbraw/zinc/02/93/95/744029395.db2.gz IITGXEDWTORLTH-UHFFFAOYSA-N 1 2 318.373 1.717 20 10 DDCDLO CC[C@H](C)N1CC2(C[NH+](Cc3cccc(C)c3O)C2)OCC1=O ZINC001273770920 851325838 /nfs/dbraw/zinc/32/58/38/851325838.db2.gz XLAZTJKOQYHWCX-AWEZNQCLSA-N 1 2 318.417 1.912 20 10 DDCDLO [NH3+][C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001206669065 865245042 /nfs/dbraw/zinc/24/50/42/865245042.db2.gz ZHBJFOBITGKRQJ-HNNXBMFYSA-N 1 2 311.376 1.692 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC001331993465 865487240 /nfs/dbraw/zinc/48/72/40/865487240.db2.gz AJIXXMXHZXTXGA-ZDUSSCGKSA-N 1 2 324.331 1.539 20 10 DDCDLO COc1ccc(N2CCN(c3cc(N)nc[nH+]3)CC2)cc1F ZINC001339609556 870580329 /nfs/dbraw/zinc/58/03/29/870580329.db2.gz ILFRIOPWLCIAKH-UHFFFAOYSA-N 1 2 303.341 1.533 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(OC)cc1O ZINC001203628628 870681306 /nfs/dbraw/zinc/68/13/06/870681306.db2.gz FFNBMBZWHPPQGZ-BTTYYORXSA-N 1 2 321.373 1.553 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(OC)cc1O ZINC001203628628 870681311 /nfs/dbraw/zinc/68/13/11/870681311.db2.gz FFNBMBZWHPPQGZ-BTTYYORXSA-N 1 2 321.373 1.553 20 10 DDCDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001276497373 872635759 /nfs/dbraw/zinc/63/57/59/872635759.db2.gz IYDGQQPGVURVPJ-STQMWFEESA-N 1 2 316.323 1.926 20 10 DDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001276497373 872635763 /nfs/dbraw/zinc/63/57/63/872635763.db2.gz IYDGQQPGVURVPJ-STQMWFEESA-N 1 2 316.323 1.926 20 10 DDCDLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC001352056162 876576811 /nfs/dbraw/zinc/57/68/11/876576811.db2.gz VXOCIVYOATUFHB-UHFFFAOYSA-N 1 2 316.449 1.050 20 10 DDCDLO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)[C@H](C(=O)OC)C1 ZINC000272570791 130042398 /nfs/dbraw/zinc/04/23/98/130042398.db2.gz VVIBSPGZKZIGSC-AAEUAGOBSA-N 1 2 307.346 1.319 20 10 DDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)[C@H](C(=O)OC)C1 ZINC000272570791 130042401 /nfs/dbraw/zinc/04/24/01/130042401.db2.gz VVIBSPGZKZIGSC-AAEUAGOBSA-N 1 2 307.346 1.319 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271763552 407731686 /nfs/dbraw/zinc/73/16/86/407731686.db2.gz ZKNKCKHWRAUXPM-SNVBAGLBSA-N 1 2 318.826 1.546 20 10 DDCDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000184690990 408667641 /nfs/dbraw/zinc/66/76/41/408667641.db2.gz YVRHQWJCEYPREN-NSHDSACASA-N 1 2 318.339 1.941 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)c1c(F)ccc(O)c1O)[NH+]1CCOCC1 ZINC000295369090 409453105 /nfs/dbraw/zinc/45/31/05/409453105.db2.gz WNPTWXIIDNHFCM-VHSXEESVSA-N 1 2 312.341 1.076 20 10 DDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296537029 409603225 /nfs/dbraw/zinc/60/32/25/409603225.db2.gz NORZSQSCVUZGTO-UHFFFAOYSA-N 1 2 306.406 1.907 20 10 DDCDLO COC(=O)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296537029 409603232 /nfs/dbraw/zinc/60/32/32/409603232.db2.gz NORZSQSCVUZGTO-UHFFFAOYSA-N 1 2 306.406 1.907 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC000377700457 418712856 /nfs/dbraw/zinc/71/28/56/418712856.db2.gz NCBZIKPACBOIOZ-TVQRCGJNSA-N 1 2 301.795 1.665 20 10 DDCDLO O=S1(=O)CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC000377700457 418712858 /nfs/dbraw/zinc/71/28/58/418712858.db2.gz NCBZIKPACBOIOZ-TVQRCGJNSA-N 1 2 301.795 1.665 20 10 DDCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(O)c1O ZINC000287583726 288716729 /nfs/dbraw/zinc/71/67/29/288716729.db2.gz XPVHQVJUULKPCZ-NEPJUHHUSA-N 1 2 306.362 1.033 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774844370 697934256 /nfs/dbraw/zinc/93/42/56/697934256.db2.gz ADSSTEWKSVIPIV-LLVKDONJSA-N 1 2 309.322 1.019 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774844370 697934258 /nfs/dbraw/zinc/93/42/58/697934258.db2.gz ADSSTEWKSVIPIV-LLVKDONJSA-N 1 2 309.322 1.019 20 10 DDCDLO CNC(=O)C[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000322821467 698736923 /nfs/dbraw/zinc/73/69/23/698736923.db2.gz WPMHKQPCPJBQGC-QMMMGPOBSA-N 1 2 301.184 1.769 20 10 DDCDLO C[NH+](C)Cc1ccnc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000790070584 699440733 /nfs/dbraw/zinc/44/07/33/699440733.db2.gz FDEKNXHGMXTWDV-UHFFFAOYSA-N 1 2 305.309 1.946 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)[S@@]1=O ZINC000792192737 699681790 /nfs/dbraw/zinc/68/17/90/699681790.db2.gz PRYUUVCVILEANR-YEZVWNJWSA-N 1 2 322.474 1.865 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)[S@@]1=O ZINC000792192737 699681792 /nfs/dbraw/zinc/68/17/92/699681792.db2.gz PRYUUVCVILEANR-YEZVWNJWSA-N 1 2 322.474 1.865 20 10 DDCDLO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000802310754 700394701 /nfs/dbraw/zinc/39/47/01/700394701.db2.gz UFLNTTXDBPGHLZ-APPZFPTMSA-N 1 2 322.174 1.952 20 10 DDCDLO CN(C)C(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768198628 701163103 /nfs/dbraw/zinc/16/31/03/701163103.db2.gz BSIASKTVASSVIT-UHFFFAOYSA-N 1 2 311.813 1.251 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](CO)O1 ZINC000862338077 705698502 /nfs/dbraw/zinc/69/85/02/705698502.db2.gz IUSKXHRPGWZJTG-NXEZZACHSA-N 1 2 316.195 1.736 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](CO)O1 ZINC000862338077 705698503 /nfs/dbraw/zinc/69/85/03/705698503.db2.gz IUSKXHRPGWZJTG-NXEZZACHSA-N 1 2 316.195 1.736 20 10 DDCDLO C[N@H+](CCCO)C1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876736337 705848746 /nfs/dbraw/zinc/84/87/46/705848746.db2.gz JOZKOIRCKNNZOP-UHFFFAOYSA-N 1 2 314.376 1.949 20 10 DDCDLO C[N@@H+](CCCO)C1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876736337 705848750 /nfs/dbraw/zinc/84/87/50/705848750.db2.gz JOZKOIRCKNNZOP-UHFFFAOYSA-N 1 2 314.376 1.949 20 10 DDCDLO CNC(=O)[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835047604 707162273 /nfs/dbraw/zinc/16/22/73/707162273.db2.gz JHBQGHARJMWJBQ-AWFCHZOYSA-N 1 2 303.406 1.213 20 10 DDCDLO CNC(=O)[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835047604 707162274 /nfs/dbraw/zinc/16/22/74/707162274.db2.gz JHBQGHARJMWJBQ-AWFCHZOYSA-N 1 2 303.406 1.213 20 10 DDCDLO COc1ccc(N2CC[NH+](Cn3cnnc3)CC2)c(OC)c1 ZINC000872707230 707565309 /nfs/dbraw/zinc/56/53/09/707565309.db2.gz XGMNVWGSCPQUCL-UHFFFAOYSA-N 1 2 303.366 1.075 20 10 DDCDLO COc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cc1OC ZINC000895117699 711422031 /nfs/dbraw/zinc/42/20/31/711422031.db2.gz CDXFCLZYDCAONE-GMTAPVOTSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cc1OC ZINC000895117699 711422032 /nfs/dbraw/zinc/42/20/32/711422032.db2.gz CDXFCLZYDCAONE-GMTAPVOTSA-N 1 2 308.378 1.507 20 10 DDCDLO COCC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849881 716086837 /nfs/dbraw/zinc/08/68/37/716086837.db2.gz ZIWGKJFKFAMSJJ-UHFFFAOYSA-N 1 2 319.365 1.253 20 10 DDCDLO COC(=O)c1[nH+]ccc(NCCc2cc(O)c(O)cc2O)c1C ZINC001168013788 740619233 /nfs/dbraw/zinc/61/92/33/740619233.db2.gz JWRNZTGAGSWTEQ-UHFFFAOYSA-N 1 2 318.329 1.948 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172914709 776928958 /nfs/dbraw/zinc/92/89/58/776928958.db2.gz KJQANFMCQJMQQJ-MCIONIFRSA-N 1 2 323.389 1.729 20 10 DDCDLO Oc1cccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1O ZINC001174492294 777486244 /nfs/dbraw/zinc/48/62/44/777486244.db2.gz WAFXRNACBIXPED-UHFFFAOYSA-N 1 2 304.350 1.370 20 10 DDCDLO CC[C@@H](C(=O)NCc1cc(O)ccc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC001176755739 778243729 /nfs/dbraw/zinc/24/37/29/778243729.db2.gz UUKXVFJGYPZNCC-CABCVRRESA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@@H](C(=O)NCc1cc(O)ccc1O)[N@H+]1CCO[C@H](CC)C1 ZINC001176755739 778243731 /nfs/dbraw/zinc/24/37/31/778243731.db2.gz UUKXVFJGYPZNCC-CABCVRRESA-N 1 2 322.405 1.603 20 10 DDCDLO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581494 860657875 /nfs/dbraw/zinc/65/78/75/860657875.db2.gz XNNIEBWFFMUHIH-MEDUHNTESA-N 1 2 312.360 1.823 20 10 DDCDLO CC[N@H+]1CCO[C@@H]2CN(Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581494 860657877 /nfs/dbraw/zinc/65/78/77/860657877.db2.gz XNNIEBWFFMUHIH-MEDUHNTESA-N 1 2 312.360 1.823 20 10 DDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141645411 860901311 /nfs/dbraw/zinc/90/13/11/860901311.db2.gz BLNONQGICMPOAB-SNVBAGLBSA-N 1 2 300.322 1.864 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2nnc3n2CCC3)ccc1[N+](=O)[O-] ZINC001321018580 867222279 /nfs/dbraw/zinc/22/22/79/867222279.db2.gz DAEWUGPMQCBEFZ-UHFFFAOYSA-N 1 2 319.321 1.137 20 10 DDCDLO COc1cccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c1O ZINC001203596552 870658079 /nfs/dbraw/zinc/65/80/79/870658079.db2.gz IJMWULVOXDAWDF-UHFFFAOYSA-N 1 2 320.389 1.224 20 10 DDCDLO COc1cccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c1O ZINC001203596552 870658087 /nfs/dbraw/zinc/65/80/87/870658087.db2.gz IJMWULVOXDAWDF-UHFFFAOYSA-N 1 2 320.389 1.224 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204326538 871057072 /nfs/dbraw/zinc/05/70/72/871057072.db2.gz ZOXFWYSUYVYYDS-MRXNPFEDSA-N 1 2 304.390 1.661 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204326538 871057095 /nfs/dbraw/zinc/05/70/95/871057095.db2.gz ZOXFWYSUYVYYDS-MRXNPFEDSA-N 1 2 304.390 1.661 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(OC)c1 ZINC001206674569 872501781 /nfs/dbraw/zinc/50/17/81/872501781.db2.gz DNUXJZBXWJRTNM-ZDUSSCGKSA-N 1 2 302.321 1.578 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCC(F)(F)[C@@H](N)C2)c(OC)c1 ZINC001206674569 872501784 /nfs/dbraw/zinc/50/17/84/872501784.db2.gz DNUXJZBXWJRTNM-ZDUSSCGKSA-N 1 2 302.321 1.578 20 10 DDCDLO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC001218954860 877830173 /nfs/dbraw/zinc/83/01/73/877830173.db2.gz FQRLTMQPBNBLKB-KRWDZBQOSA-N 1 2 311.385 1.790 20 10 DDCDLO COC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000316889397 879495058 /nfs/dbraw/zinc/49/50/58/879495058.db2.gz AAAGTRRHEMDTPZ-LBPRGKRZSA-N 1 2 310.325 1.664 20 10 DDCDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000316889397 879495072 /nfs/dbraw/zinc/49/50/72/879495072.db2.gz AAAGTRRHEMDTPZ-LBPRGKRZSA-N 1 2 310.325 1.664 20 10 DDCDLO Cc1cc(F)cc(C[NH+]2CC3(CCN3CC(=O)N(C)C)C2)c1O ZINC001277519367 885665189 /nfs/dbraw/zinc/66/51/89/885665189.db2.gz UQSCSDHLXIRSLB-UHFFFAOYSA-N 1 2 321.396 1.188 20 10 DDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269118 886199847 /nfs/dbraw/zinc/19/98/47/886199847.db2.gz WEYGHOKKBYRWOL-VIFPVBQESA-N 1 2 305.783 1.370 20 10 DDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269118 886199855 /nfs/dbraw/zinc/19/98/55/886199855.db2.gz WEYGHOKKBYRWOL-VIFPVBQESA-N 1 2 305.783 1.370 20 10 DDCDLO CN(C)C(=O)c1cc2c([nH]1)C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001277660266 886334048 /nfs/dbraw/zinc/33/40/48/886334048.db2.gz SLVXREHWCPBDLG-UHFFFAOYSA-N 1 2 315.373 1.686 20 10 DDCDLO CN(C)C(=O)c1cc2c([nH]1)C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001277660266 886334071 /nfs/dbraw/zinc/33/40/71/886334071.db2.gz SLVXREHWCPBDLG-UHFFFAOYSA-N 1 2 315.373 1.686 20 10 DDCDLO COc1cc(O)c(C[NH+]2CC(C(N)=O)C2)cc1Br ZINC001233140893 886813389 /nfs/dbraw/zinc/81/33/89/886813389.db2.gz WSIBYEVFCUUREO-UHFFFAOYSA-N 1 2 315.167 1.080 20 10 DDCDLO CC(C)CC(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486630 887023022 /nfs/dbraw/zinc/02/30/22/887023022.db2.gz VLQUHOHQRQNDJK-UHFFFAOYSA-N 1 2 308.378 1.494 20 10 DDCDLO COc1cc(C)c(C[N@@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235509132 888697149 /nfs/dbraw/zinc/69/71/49/888697149.db2.gz RLAMHAASFMTJLW-UHFFFAOYSA-N 1 2 303.362 1.414 20 10 DDCDLO COc1cc(C)c(C[N@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235509132 888697160 /nfs/dbraw/zinc/69/71/60/888697160.db2.gz RLAMHAASFMTJLW-UHFFFAOYSA-N 1 2 303.362 1.414 20 10 DDCDLO COc1cc(C)c(CN2CC(N3CC[NH+](C)CC3)C2)c(O)c1 ZINC001236815051 889369209 /nfs/dbraw/zinc/36/92/09/889369209.db2.gz HIIOVDOACRZKSV-UHFFFAOYSA-N 1 2 305.422 1.141 20 10 DDCDLO O=S1(=O)CCN(c2ccc(C[N@H+]3CC[C@H](F)C3)cc2)CC1 ZINC001237208483 889546144 /nfs/dbraw/zinc/54/61/44/889546144.db2.gz RGFVCKMQYVZCOX-AWEZNQCLSA-N 1 2 312.410 1.465 20 10 DDCDLO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@H](F)C3)cc2)CC1 ZINC001237208483 889546154 /nfs/dbraw/zinc/54/61/54/889546154.db2.gz RGFVCKMQYVZCOX-AWEZNQCLSA-N 1 2 312.410 1.465 20 10 DDCDLO COC(=O)Cc1ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001249214374 893874105 /nfs/dbraw/zinc/87/41/05/893874105.db2.gz KQGJEQGUVIQTOZ-UHFFFAOYSA-N 1 2 320.389 1.160 20 10 DDCDLO COC(=O)Cc1ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001249214374 893874129 /nfs/dbraw/zinc/87/41/29/893874129.db2.gz KQGJEQGUVIQTOZ-UHFFFAOYSA-N 1 2 320.389 1.160 20 10 DDCDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[nH]1 ZINC000278494619 539280771 /nfs/dbraw/zinc/28/07/71/539280771.db2.gz MBRZTHVGEKHPMQ-QMMMGPOBSA-N 1 2 321.337 1.840 20 10 DDCDLO COCCN1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC000293840700 222768678 /nfs/dbraw/zinc/76/86/78/222768678.db2.gz QLZCTRGVMNXJQR-UHFFFAOYSA-N 1 2 305.422 1.352 20 10 DDCDLO COCCN1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC000293840700 222768681 /nfs/dbraw/zinc/76/86/81/222768681.db2.gz QLZCTRGVMNXJQR-UHFFFAOYSA-N 1 2 305.422 1.352 20 10 DDCDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298615268 132070446 /nfs/dbraw/zinc/07/04/46/132070446.db2.gz MQFZQBWOBRXQRC-KGLIPLIRSA-N 1 2 305.422 1.478 20 10 DDCDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298615268 132070448 /nfs/dbraw/zinc/07/04/48/132070448.db2.gz MQFZQBWOBRXQRC-KGLIPLIRSA-N 1 2 305.422 1.478 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000187573758 407870154 /nfs/dbraw/zinc/87/01/54/407870154.db2.gz IGYYBJFXRQYCHI-HZPDHXFCSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000187573758 407870160 /nfs/dbraw/zinc/87/01/60/407870160.db2.gz IGYYBJFXRQYCHI-HZPDHXFCSA-N 1 2 306.406 1.641 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118853998 407954885 /nfs/dbraw/zinc/95/48/85/407954885.db2.gz PGGMJLICNNKYLQ-UHFFFAOYSA-N 1 2 313.405 1.150 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118853998 407954890 /nfs/dbraw/zinc/95/48/90/407954890.db2.gz PGGMJLICNNKYLQ-UHFFFAOYSA-N 1 2 313.405 1.150 20 10 DDCDLO COCC(=O)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294897068 409305918 /nfs/dbraw/zinc/30/59/18/409305918.db2.gz MEFASWHQSVSSMP-UHFFFAOYSA-N 1 2 316.760 1.475 20 10 DDCDLO NC(=O)C1([NH+]2CCN(Cc3ccccc3O)CC2)CCCCC1 ZINC000374282249 418513680 /nfs/dbraw/zinc/51/36/80/418513680.db2.gz FNFRADNXKZFGLQ-UHFFFAOYSA-N 1 2 317.433 1.698 20 10 DDCDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000194805092 222184519 /nfs/dbraw/zinc/18/45/19/222184519.db2.gz XZKCKRPEQFGODS-AWEZNQCLSA-N 1 2 308.353 1.834 20 10 DDCDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000194805092 222184522 /nfs/dbraw/zinc/18/45/22/222184522.db2.gz XZKCKRPEQFGODS-AWEZNQCLSA-N 1 2 308.353 1.834 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c1 ZINC000377833488 418716337 /nfs/dbraw/zinc/71/63/37/418716337.db2.gz DYFUEVLKHDTKAW-AWEZNQCLSA-N 1 2 323.389 1.945 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c1 ZINC000377833488 418716338 /nfs/dbraw/zinc/71/63/38/418716338.db2.gz DYFUEVLKHDTKAW-AWEZNQCLSA-N 1 2 323.389 1.945 20 10 DDCDLO O=C(NCc1ccccc1O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774195862 697854280 /nfs/dbraw/zinc/85/42/80/697854280.db2.gz DLRMRALBBOKHTQ-UHFFFAOYSA-N 1 2 310.313 1.295 20 10 DDCDLO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000795826971 699894612 /nfs/dbraw/zinc/89/46/12/699894612.db2.gz DFGQSHGZTYMXIX-HBNTYKKESA-N 1 2 301.333 1.966 20 10 DDCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868110348 701945918 /nfs/dbraw/zinc/94/59/18/701945918.db2.gz ZYDDBADDVZMXPX-HNNXBMFYSA-N 1 2 303.362 1.978 20 10 DDCDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816569213 702114959 /nfs/dbraw/zinc/11/49/59/702114959.db2.gz COZZOYPQRXYVFY-SECBINFHSA-N 1 2 322.789 1.438 20 10 DDCDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816569213 702114960 /nfs/dbraw/zinc/11/49/60/702114960.db2.gz COZZOYPQRXYVFY-SECBINFHSA-N 1 2 322.789 1.438 20 10 DDCDLO COc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(O)c1 ZINC000844140645 702977055 /nfs/dbraw/zinc/97/70/55/702977055.db2.gz SZLSCNGERJGWBH-GFCCVEGCSA-N 1 2 301.346 1.476 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC(=O)N(C)CC2)c1O ZINC000852581787 704081315 /nfs/dbraw/zinc/08/13/15/704081315.db2.gz WUKKOWBFGZSJTB-UHFFFAOYSA-N 1 2 310.781 1.912 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC(=O)N(C)CC2)c1O ZINC000852581787 704081318 /nfs/dbraw/zinc/08/13/18/704081318.db2.gz WUKKOWBFGZSJTB-UHFFFAOYSA-N 1 2 310.781 1.912 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000860160580 705119033 /nfs/dbraw/zinc/11/90/33/705119033.db2.gz XLKUIQDEVOSSPE-ZWNOBZJWSA-N 1 2 309.749 1.853 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000860160580 705119035 /nfs/dbraw/zinc/11/90/35/705119035.db2.gz XLKUIQDEVOSSPE-ZWNOBZJWSA-N 1 2 309.749 1.853 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)CSC ZINC000823576665 705270885 /nfs/dbraw/zinc/27/08/85/705270885.db2.gz UYQAIGKLKMKUBE-CYBMUJFWSA-N 1 2 313.419 1.481 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)CSC ZINC000823576665 705270887 /nfs/dbraw/zinc/27/08/87/705270887.db2.gz UYQAIGKLKMKUBE-CYBMUJFWSA-N 1 2 313.419 1.481 20 10 DDCDLO COCC(=O)N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835024691 707157206 /nfs/dbraw/zinc/15/72/06/707157206.db2.gz BCYRKGMITRNWHH-SNAWJCMRSA-N 1 2 317.433 1.556 20 10 DDCDLO Oc1c(CN2CC[NH+](C[C@H]3CCCO3)CC2)ccc(F)c1F ZINC000876541435 705751469 /nfs/dbraw/zinc/75/14/69/705751469.db2.gz BYPNDQZSQZSAFK-CYBMUJFWSA-N 1 2 312.360 1.967 20 10 DDCDLO O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1CC(F)(F)F ZINC000877027546 705964413 /nfs/dbraw/zinc/96/44/13/705964413.db2.gz OOWRZPQHTVVGCA-VIFPVBQESA-N 1 2 324.249 1.923 20 10 DDCDLO CCN(C#N)CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000878181063 706317789 /nfs/dbraw/zinc/31/77/89/706317789.db2.gz KLDPRTRMHAFRCA-UHFFFAOYSA-N 1 2 306.385 1.759 20 10 DDCDLO COc1ccc(C[NH2+]Cc2cnn(C)n2)cc1Cn1cccn1 ZINC000873127483 707742632 /nfs/dbraw/zinc/74/26/32/707742632.db2.gz SFSGZPLKXCCFFU-UHFFFAOYSA-N 1 2 312.377 1.358 20 10 DDCDLO COc1ccc(C[NH2+]C2(c3nc(C)no3)CC2)c(O)c1OC ZINC000897896161 708485517 /nfs/dbraw/zinc/48/55/17/708485517.db2.gz PSZJCCQLONXCHG-UHFFFAOYSA-N 1 2 305.334 1.880 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159123 710991710 /nfs/dbraw/zinc/99/17/10/710991710.db2.gz SDIXNNHHRYTQSK-CHWSQXEVSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159123 710991716 /nfs/dbraw/zinc/99/17/16/710991716.db2.gz SDIXNNHHRYTQSK-CHWSQXEVSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c(O)c1OC ZINC000894599837 711203579 /nfs/dbraw/zinc/20/35/79/711203579.db2.gz UMGOWJWQSCHWSJ-NSHDSACASA-N 1 2 309.362 1.935 20 10 DDCDLO COc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c(O)c1OC ZINC000894599837 711203583 /nfs/dbraw/zinc/20/35/83/711203583.db2.gz UMGOWJWQSCHWSJ-NSHDSACASA-N 1 2 309.362 1.935 20 10 DDCDLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c(O)c1OC ZINC000895190093 711449164 /nfs/dbraw/zinc/44/91/64/711449164.db2.gz WRVPQPUSLMLFIB-TZMCWYRMSA-N 1 2 323.389 1.788 20 10 DDCDLO COc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c(O)c1OC ZINC000895190093 711449165 /nfs/dbraw/zinc/44/91/65/711449165.db2.gz WRVPQPUSLMLFIB-TZMCWYRMSA-N 1 2 323.389 1.788 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172914708 776929093 /nfs/dbraw/zinc/92/90/93/776929093.db2.gz KJQANFMCQJMQQJ-IHRRRGAJSA-N 1 2 323.389 1.729 20 10 DDCDLO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001275363106 853020616 /nfs/dbraw/zinc/02/06/16/853020616.db2.gz WHLWMFRIDXWLEM-TXEJJXNPSA-N 1 2 311.376 1.491 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356183 860073556 /nfs/dbraw/zinc/07/35/56/860073556.db2.gz JHZWQZDNZLMRDV-KRWDZBQOSA-N 1 2 318.417 1.833 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356183 860073564 /nfs/dbraw/zinc/07/35/64/860073564.db2.gz JHZWQZDNZLMRDV-KRWDZBQOSA-N 1 2 318.417 1.833 20 10 DDCDLO OC1CCN(c2ccc(C[N@@H+]3CCn4nccc4C3)cc2)CC1 ZINC001140287295 860613139 /nfs/dbraw/zinc/61/31/39/860613139.db2.gz NERUPDNKPQJSGO-UHFFFAOYSA-N 1 2 312.417 1.860 20 10 DDCDLO OC1CCN(c2ccc(C[N@H+]3CCn4nccc4C3)cc2)CC1 ZINC001140287295 860613144 /nfs/dbraw/zinc/61/31/44/860613144.db2.gz NERUPDNKPQJSGO-UHFFFAOYSA-N 1 2 312.417 1.860 20 10 DDCDLO CC[N@H+](CCN1CCOCC1)Cc1c(O)cc(F)cc1F ZINC001140583929 860657885 /nfs/dbraw/zinc/65/78/85/860657885.db2.gz ZBHXIXWKPVGRMI-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001330213354 864162518 /nfs/dbraw/zinc/16/25/18/864162518.db2.gz GANJFZBHERKYGP-GFCCVEGCSA-N 1 2 305.378 1.138 20 10 DDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001330213354 864162522 /nfs/dbraw/zinc/16/25/22/864162522.db2.gz GANJFZBHERKYGP-GFCCVEGCSA-N 1 2 305.378 1.138 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)nc1 ZINC001203884701 870817762 /nfs/dbraw/zinc/81/77/62/870817762.db2.gz YIWGWHWTEYMPHQ-UHFFFAOYSA-N 1 2 315.373 1.824 20 10 DDCDLO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001204342213 871063677 /nfs/dbraw/zinc/06/36/77/871063677.db2.gz JOVXMMCNFCMVIP-LBPRGKRZSA-N 1 2 307.268 1.606 20 10 DDCDLO COc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001204342213 871063696 /nfs/dbraw/zinc/06/36/96/871063696.db2.gz JOVXMMCNFCMVIP-LBPRGKRZSA-N 1 2 307.268 1.606 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404204420 877008349 /nfs/dbraw/zinc/00/83/49/877008349.db2.gz MHORFTUCKSKCSB-ZDUSSCGKSA-N 1 2 316.195 1.786 20 10 DDCDLO CC(C)NC(=O)CN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272252272 130013324 /nfs/dbraw/zinc/01/33/24/130013324.db2.gz IPYJJFCMHGFKOV-UHFFFAOYSA-N 1 2 309.385 1.174 20 10 DDCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000273911349 408298012 /nfs/dbraw/zinc/29/80/12/408298012.db2.gz HBVKVPJVPSJDEY-NSHDSACASA-N 1 2 313.375 1.130 20 10 DDCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000273911349 408298021 /nfs/dbraw/zinc/29/80/21/408298021.db2.gz HBVKVPJVPSJDEY-NSHDSACASA-N 1 2 313.375 1.130 20 10 DDCDLO COCCN(C)c1ccc(C=C2SC(=S)NC2=O)c[nH+]1 ZINC000276745602 408895909 /nfs/dbraw/zinc/89/59/09/408895909.db2.gz XAWJPOKVGBCKCW-JXMROGBWSA-N 1 2 309.416 1.653 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000281743811 408922370 /nfs/dbraw/zinc/92/23/70/408922370.db2.gz BMKISEGBIJAVHD-NSHDSACASA-N 1 2 315.391 1.028 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000281743811 408922372 /nfs/dbraw/zinc/92/23/72/408922372.db2.gz BMKISEGBIJAVHD-NSHDSACASA-N 1 2 315.391 1.028 20 10 DDCDLO OCc1cn([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000293775912 409178924 /nfs/dbraw/zinc/17/89/24/409178924.db2.gz YXHVTTXKSANRJH-CYBMUJFWSA-N 1 2 322.796 1.967 20 10 DDCDLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000293775912 409178927 /nfs/dbraw/zinc/17/89/27/409178927.db2.gz YXHVTTXKSANRJH-CYBMUJFWSA-N 1 2 322.796 1.967 20 10 DDCDLO COc1cccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1O ZINC000366093513 418429971 /nfs/dbraw/zinc/42/99/71/418429971.db2.gz SXZJARISLUMGMB-LLVKDONJSA-N 1 2 316.361 1.481 20 10 DDCDLO COc1cccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1O ZINC000366093513 418429973 /nfs/dbraw/zinc/42/99/73/418429973.db2.gz SXZJARISLUMGMB-LLVKDONJSA-N 1 2 316.361 1.481 20 10 DDCDLO O=C1NCCCC[C@@H]1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000376168292 418693549 /nfs/dbraw/zinc/69/35/49/418693549.db2.gz VURJOGZPFAHHKC-HNNXBMFYSA-N 1 2 321.396 1.318 20 10 DDCDLO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000376168292 418693551 /nfs/dbraw/zinc/69/35/51/418693551.db2.gz VURJOGZPFAHHKC-HNNXBMFYSA-N 1 2 321.396 1.318 20 10 DDCDLO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCNC1=O ZINC000282253425 276140263 /nfs/dbraw/zinc/14/02/63/276140263.db2.gz GRIWJEIEBCYNRG-CYBMUJFWSA-N 1 2 310.781 1.959 20 10 DDCDLO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCNC1=O ZINC000282253425 276140265 /nfs/dbraw/zinc/14/02/65/276140265.db2.gz GRIWJEIEBCYNRG-CYBMUJFWSA-N 1 2 310.781 1.959 20 10 DDCDLO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(F)cc(F)c1O ZINC000786946502 699181719 /nfs/dbraw/zinc/18/17/19/699181719.db2.gz AQMKODBAKDMMBB-QMMMGPOBSA-N 1 2 305.346 1.756 20 10 DDCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)N(C)C ZINC000715747379 699276444 /nfs/dbraw/zinc/27/64/44/699276444.db2.gz ZOHXIZLFLPJJRS-SSDOTTSWSA-N 1 2 319.174 1.860 20 10 DDCDLO C[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)S1=O ZINC000792192736 699681958 /nfs/dbraw/zinc/68/19/58/699681958.db2.gz PRYUUVCVILEANR-HUUCEWRRSA-N 1 2 322.474 1.865 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2nc(C)n[nH]2)c1 ZINC000757635957 700666926 /nfs/dbraw/zinc/66/69/26/700666926.db2.gz CHEPXIKEILBPQH-SECBINFHSA-N 1 2 304.350 1.499 20 10 DDCDLO O=C(Cn1cc[nH+]c1)NCc1cccc(Br)c1O ZINC000765732056 701025757 /nfs/dbraw/zinc/02/57/57/701025757.db2.gz OVZJQMXZPIWXNX-UHFFFAOYSA-N 1 2 310.151 1.668 20 10 DDCDLO CCOc1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)c(O)c1 ZINC000769523953 701248321 /nfs/dbraw/zinc/24/83/21/701248321.db2.gz IMBQOWJGYGCLTC-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO CCOc1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c(O)c1 ZINC000769523953 701248323 /nfs/dbraw/zinc/24/83/23/701248323.db2.gz IMBQOWJGYGCLTC-UHFFFAOYSA-N 1 2 313.419 1.800 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@@H](C)O1 ZINC000839573937 701741976 /nfs/dbraw/zinc/74/19/76/701741976.db2.gz HSGUMGWFLDZJAB-RBSFLKMASA-N 1 2 319.449 1.867 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@@H](C)O1 ZINC000839573937 701741982 /nfs/dbraw/zinc/74/19/82/701741982.db2.gz HSGUMGWFLDZJAB-RBSFLKMASA-N 1 2 319.449 1.867 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)cc1 ZINC000869142862 702476878 /nfs/dbraw/zinc/47/68/78/702476878.db2.gz QLQSBESZANELQP-HNNXBMFYSA-N 1 2 318.377 1.047 20 10 DDCDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844390478 703024545 /nfs/dbraw/zinc/02/45/45/703024545.db2.gz HROCOVILRLVDPL-YOEHRIQHSA-N 1 2 319.449 1.868 20 10 DDCDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844390478 703024546 /nfs/dbraw/zinc/02/45/46/703024546.db2.gz HROCOVILRLVDPL-YOEHRIQHSA-N 1 2 319.449 1.868 20 10 DDCDLO COc1ccc([N@H+](CCCN2C(=O)CNC2=O)CC2CC2)cc1 ZINC000831587685 706734654 /nfs/dbraw/zinc/73/46/54/706734654.db2.gz GRSDUKXDGRKCRC-UHFFFAOYSA-N 1 2 317.389 1.854 20 10 DDCDLO COc1ccc([N@@H+](CCCN2C(=O)CNC2=O)CC2CC2)cc1 ZINC000831587685 706734655 /nfs/dbraw/zinc/73/46/55/706734655.db2.gz GRSDUKXDGRKCRC-UHFFFAOYSA-N 1 2 317.389 1.854 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824819803 705535855 /nfs/dbraw/zinc/53/58/55/705535855.db2.gz SZBCYMHISFLFKL-CYBMUJFWSA-N 1 2 312.797 1.691 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824819803 705535859 /nfs/dbraw/zinc/53/58/59/705535859.db2.gz SZBCYMHISFLFKL-CYBMUJFWSA-N 1 2 312.797 1.691 20 10 DDCDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876789722 705878067 /nfs/dbraw/zinc/87/80/67/705878067.db2.gz GZTJJMBQLYNFEA-SNVBAGLBSA-N 1 2 320.361 1.184 20 10 DDCDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876789722 705878068 /nfs/dbraw/zinc/87/80/68/705878068.db2.gz GZTJJMBQLYNFEA-SNVBAGLBSA-N 1 2 320.361 1.184 20 10 DDCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826985609 705906361 /nfs/dbraw/zinc/90/63/61/705906361.db2.gz ISPNBSAVHXYQGX-ZYHUDNBSSA-N 1 2 323.773 1.086 20 10 DDCDLO Cn1ncnc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000877582479 706149319 /nfs/dbraw/zinc/14/93/19/706149319.db2.gz YAUWBINHVILFSA-UHFFFAOYSA-N 1 2 323.347 1.220 20 10 DDCDLO C[N@@H+](Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878241066 706335640 /nfs/dbraw/zinc/33/56/40/706335640.db2.gz AIFBPFMWHUKJPV-UHFFFAOYSA-N 1 2 301.346 1.593 20 10 DDCDLO C[N@H+](Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878241066 706335643 /nfs/dbraw/zinc/33/56/43/706335643.db2.gz AIFBPFMWHUKJPV-UHFFFAOYSA-N 1 2 301.346 1.593 20 10 DDCDLO C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc(F)cc(F)c1O ZINC000883350696 707982335 /nfs/dbraw/zinc/98/23/35/707982335.db2.gz NBMCYACBSDVLET-LLVKDONJSA-N 1 2 318.364 1.262 20 10 DDCDLO COCCCOC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000839134475 708028970 /nfs/dbraw/zinc/02/89/70/708028970.db2.gz OOOLLFNVTGPRHN-UHFFFAOYSA-N 1 2 311.378 1.647 20 10 DDCDLO O=c1cc(N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2)nc[nH]1 ZINC000898155165 708559380 /nfs/dbraw/zinc/55/93/80/708559380.db2.gz MIWZMZSZZUSVSL-LLVKDONJSA-N 1 2 320.780 1.910 20 10 DDCDLO COc1ccc(N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000900293351 709524760 /nfs/dbraw/zinc/52/47/60/709524760.db2.gz DJTAGMWKGZIDNH-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)c1O ZINC000931200062 714033821 /nfs/dbraw/zinc/03/38/21/714033821.db2.gz JYLHJNOOQKPSMS-UHFFFAOYSA-N 1 2 319.336 1.731 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)c1O ZINC000931200062 714033824 /nfs/dbraw/zinc/03/38/24/714033824.db2.gz JYLHJNOOQKPSMS-UHFFFAOYSA-N 1 2 319.336 1.731 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(C)ccc1O ZINC000925612889 714899791 /nfs/dbraw/zinc/89/97/91/714899791.db2.gz NMFHLRXGWNGZHJ-HNNXBMFYSA-N 1 2 321.421 1.611 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H]2CCn3ccnc32)ccc1[N+](=O)[O-] ZINC001181932114 743398315 /nfs/dbraw/zinc/39/83/15/743398315.db2.gz CKOPSNBKFZANRG-JTQLQIEISA-N 1 2 304.306 1.740 20 10 DDCDLO COc1ccc(O)c(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c1 ZINC001203674871 744660360 /nfs/dbraw/zinc/66/03/60/744660360.db2.gz DXKVCKLXRIMEEU-UHFFFAOYSA-N 1 2 304.390 1.988 20 10 DDCDLO COc1ccc(O)c(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c1 ZINC001203674871 744660362 /nfs/dbraw/zinc/66/03/62/744660362.db2.gz DXKVCKLXRIMEEU-UHFFFAOYSA-N 1 2 304.390 1.988 20 10 DDCDLO O=S1(=O)CC(C2C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001119450813 781458507 /nfs/dbraw/zinc/45/85/07/781458507.db2.gz YMTRPWMSRGWFOD-UHFFFAOYSA-N 1 2 320.458 1.763 20 10 DDCDLO Oc1cccc(F)c1C[NH+]1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001276354255 855712109 /nfs/dbraw/zinc/71/21/09/855712109.db2.gz OCGNPQSUARNMQF-UHFFFAOYSA-N 1 2 302.353 1.715 20 10 DDCDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c(OC)c1 ZINC001276993824 881519167 /nfs/dbraw/zinc/51/91/67/881519167.db2.gz FETHLGCHKLAXCN-UHFFFAOYSA-N 1 2 314.389 1.749 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(OC)c1 ZINC001141029568 860766539 /nfs/dbraw/zinc/76/65/39/860766539.db2.gz WBIWGQJGSMNWRT-NSHDSACASA-N 1 2 306.362 1.216 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c(OC)c1 ZINC001141029568 860766542 /nfs/dbraw/zinc/76/65/42/860766542.db2.gz WBIWGQJGSMNWRT-NSHDSACASA-N 1 2 306.362 1.216 20 10 DDCDLO COC(=O)N1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032172 860768814 /nfs/dbraw/zinc/76/88/14/860768814.db2.gz UVPDTJKNNQCOSR-UHFFFAOYSA-N 1 2 310.350 1.293 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001141161499 860798969 /nfs/dbraw/zinc/79/89/69/860798969.db2.gz SDIMWNNPQSNPIF-LMKPVCQUSA-N 1 2 307.346 1.250 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141161499 860798975 /nfs/dbraw/zinc/79/89/75/860798975.db2.gz SDIMWNNPQSNPIF-LMKPVCQUSA-N 1 2 307.346 1.250 20 10 DDCDLO COC(=O)c1cnc2c(c1)C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001141162819 860799145 /nfs/dbraw/zinc/79/91/45/860799145.db2.gz GGUCKOXMSUFWKC-UHFFFAOYSA-N 1 2 314.341 1.838 20 10 DDCDLO COC(=O)c1cnc2c(c1)C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141162819 860799153 /nfs/dbraw/zinc/79/91/53/860799153.db2.gz GGUCKOXMSUFWKC-UHFFFAOYSA-N 1 2 314.341 1.838 20 10 DDCDLO Cc1cc(O)c(C[N@H+](C)Cc2nnc3c(=O)[nH]ccn23)cc1C ZINC001334325137 867488302 /nfs/dbraw/zinc/48/83/02/867488302.db2.gz HKOQUJOEXGLGHM-UHFFFAOYSA-N 1 2 313.361 1.372 20 10 DDCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nnc3c(=O)[nH]ccn23)cc1C ZINC001334325137 867488320 /nfs/dbraw/zinc/48/83/20/867488320.db2.gz HKOQUJOEXGLGHM-UHFFFAOYSA-N 1 2 313.361 1.372 20 10 DDCDLO CCOCC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001308662295 871518579 /nfs/dbraw/zinc/51/85/79/871518579.db2.gz HVMODUFZRULBJN-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO COc1ncc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001206426859 872308964 /nfs/dbraw/zinc/30/89/64/872308964.db2.gz VVYBSFSAHRHCMR-UHFFFAOYSA-N 1 2 301.346 1.845 20 10 DDCDLO COc1ncc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001206426859 872308977 /nfs/dbraw/zinc/30/89/77/872308977.db2.gz VVYBSFSAHRHCMR-UHFFFAOYSA-N 1 2 301.346 1.845 20 10 DDCDLO NC(=O)c1noc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277457831 884529446 /nfs/dbraw/zinc/52/94/46/884529446.db2.gz KYBWJIKLLTVZED-UHFFFAOYSA-N 1 2 307.737 1.691 20 10 DDCDLO NC(=O)c1noc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277457831 884529448 /nfs/dbraw/zinc/52/94/48/884529448.db2.gz KYBWJIKLLTVZED-UHFFFAOYSA-N 1 2 307.737 1.691 20 10 DDCDLO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1Cl ZINC001236801102 889361919 /nfs/dbraw/zinc/36/19/19/889361919.db2.gz DPTPJPAWKFGLIP-YPMHNXCESA-N 1 2 312.797 1.569 20 10 DDCDLO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1Cl ZINC001236801102 889361930 /nfs/dbraw/zinc/36/19/30/889361930.db2.gz DPTPJPAWKFGLIP-YPMHNXCESA-N 1 2 312.797 1.569 20 10 DDCDLO CC(C)c1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC001237053390 889484957 /nfs/dbraw/zinc/48/49/57/889484957.db2.gz KPGBZEJXWGFZPI-UHFFFAOYSA-N 1 2 312.435 1.593 20 10 DDCDLO CN1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237122688 889511961 /nfs/dbraw/zinc/51/19/61/889511961.db2.gz KSIVLUCJIJZQKW-UHFFFAOYSA-N 1 2 318.295 1.955 20 10 DDCDLO CN1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237122688 889511971 /nfs/dbraw/zinc/51/19/71/889511971.db2.gz KSIVLUCJIJZQKW-UHFFFAOYSA-N 1 2 318.295 1.955 20 10 DDCDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC001238058247 890004572 /nfs/dbraw/zinc/00/45/72/890004572.db2.gz PNKDXMFVVTUTPF-HNNXBMFYSA-N 1 2 322.380 1.663 20 10 DDCDLO CN1CCN(c2cc(NCc3ccccc3O)[nH+]cn2)CC1=O ZINC000274795241 130261904 /nfs/dbraw/zinc/26/19/04/130261904.db2.gz IOTVMEKMJLPSGD-UHFFFAOYSA-N 1 2 313.361 1.073 20 10 DDCDLO CN1CCN(c2cc(NCc3ccccc3O)nc[nH+]2)CC1=O ZINC000274795241 130261907 /nfs/dbraw/zinc/26/19/07/130261907.db2.gz IOTVMEKMJLPSGD-UHFFFAOYSA-N 1 2 313.361 1.073 20 10 DDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)CN1CCOCC1 ZINC000271821462 407730741 /nfs/dbraw/zinc/73/07/41/407730741.db2.gz NLEQXZCXXNTYFK-ZDUSSCGKSA-N 1 2 314.813 1.171 20 10 DDCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)CN1CCOCC1 ZINC000271821462 407730748 /nfs/dbraw/zinc/73/07/48/407730748.db2.gz NLEQXZCXXNTYFK-ZDUSSCGKSA-N 1 2 314.813 1.171 20 10 DDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000186813986 407777192 /nfs/dbraw/zinc/77/71/92/407777192.db2.gz ZFKUWUPMXSRMOA-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO CN(Cc1[nH+]ccn1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301944110 410834306 /nfs/dbraw/zinc/83/43/06/410834306.db2.gz WLOFTACVDHPHTH-UHFFFAOYSA-N 1 2 317.305 1.296 20 10 DDCDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(N(C)C)cc3)C2)nn1 ZINC000371560682 418800109 /nfs/dbraw/zinc/80/01/09/418800109.db2.gz FSBAILAJJAOLIY-LBPRGKRZSA-N 1 2 301.394 1.454 20 10 DDCDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000181565056 520042603 /nfs/dbraw/zinc/04/26/03/520042603.db2.gz ZYOSXRFNWQSKEP-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000181565056 520042610 /nfs/dbraw/zinc/04/26/10/520042610.db2.gz ZYOSXRFNWQSKEP-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cn1cc[nH+]c1 ZINC000181111410 524635690 /nfs/dbraw/zinc/63/56/90/524635690.db2.gz OHDLSUVAEITVAI-PYEVWLCESA-N 1 2 301.346 1.760 20 10 DDCDLO COCCCNC(=O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000121448451 696710354 /nfs/dbraw/zinc/71/03/54/696710354.db2.gz MZPHEUSZYBPIBL-UHFFFAOYSA-N 1 2 300.786 1.630 20 10 DDCDLO COCCCNC(=O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000121448451 696710357 /nfs/dbraw/zinc/71/03/57/696710357.db2.gz MZPHEUSZYBPIBL-UHFFFAOYSA-N 1 2 300.786 1.630 20 10 DDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000228299690 697773977 /nfs/dbraw/zinc/77/39/77/697773977.db2.gz QAFVBXIGYUMQEU-ZDUSSCGKSA-N 1 2 310.781 1.959 20 10 DDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000228299690 697773978 /nfs/dbraw/zinc/77/39/78/697773978.db2.gz QAFVBXIGYUMQEU-ZDUSSCGKSA-N 1 2 310.781 1.959 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000228631276 697775305 /nfs/dbraw/zinc/77/53/05/697775305.db2.gz ZBZIXOJADLUBNX-GFCCVEGCSA-N 1 2 310.781 1.861 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000228631276 697775307 /nfs/dbraw/zinc/77/53/07/697775307.db2.gz ZBZIXOJADLUBNX-GFCCVEGCSA-N 1 2 310.781 1.861 20 10 DDCDLO C[C@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)S1=O ZINC000792192734 699681987 /nfs/dbraw/zinc/68/19/87/699681987.db2.gz PRYUUVCVILEANR-GJZGRUSLSA-N 1 2 322.474 1.865 20 10 DDCDLO CC(C)N1C(=O)C[N@H+](Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000743379166 699909963 /nfs/dbraw/zinc/90/99/63/699909963.db2.gz LVXHFVMTYXWJHN-UHFFFAOYSA-N 1 2 320.389 1.952 20 10 DDCDLO CC(C)N1C(=O)C[N@@H+](Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000743379166 699909964 /nfs/dbraw/zinc/90/99/64/699909964.db2.gz LVXHFVMTYXWJHN-UHFFFAOYSA-N 1 2 320.389 1.952 20 10 DDCDLO COc1cccc(O)c1C[N@H+](CC(N)=O)Cc1ccccc1 ZINC000769400639 701243758 /nfs/dbraw/zinc/24/37/58/701243758.db2.gz YHRKUPPKQGXQFK-UHFFFAOYSA-N 1 2 300.358 1.888 20 10 DDCDLO COc1cccc(O)c1C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000769400639 701243759 /nfs/dbraw/zinc/24/37/59/701243759.db2.gz YHRKUPPKQGXQFK-UHFFFAOYSA-N 1 2 300.358 1.888 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)CCO1 ZINC000769465468 701245950 /nfs/dbraw/zinc/24/59/50/701245950.db2.gz DEYJEDGDAPGJIN-AWEZNQCLSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)CCO1 ZINC000769465468 701245952 /nfs/dbraw/zinc/24/59/52/701245952.db2.gz DEYJEDGDAPGJIN-AWEZNQCLSA-N 1 2 309.362 1.555 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCc1c[nH+]cn1C ZINC000811924950 702084817 /nfs/dbraw/zinc/08/48/17/702084817.db2.gz SUVIMWUQLLHJSQ-UHFFFAOYSA-N 1 2 301.394 1.794 20 10 DDCDLO C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000868521685 702175539 /nfs/dbraw/zinc/17/55/39/702175539.db2.gz YADVDSZPDWMNJF-RYUDHWBXSA-N 1 2 300.362 1.964 20 10 DDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816826190 702199179 /nfs/dbraw/zinc/19/91/79/702199179.db2.gz ZLCNFNLRPOSQIR-UHFFFAOYSA-N 1 2 314.389 1.447 20 10 DDCDLO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Br)cc(F)c1O ZINC000866421354 706694784 /nfs/dbraw/zinc/69/47/84/706694784.db2.gz ZIVSCFNIERNXBW-PFZYVWIYSA-N 1 2 320.158 1.704 20 10 DDCDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000848657286 703572560 /nfs/dbraw/zinc/57/25/60/703572560.db2.gz WGPYXDNTWGANII-UHFFFAOYSA-N 1 2 315.377 1.516 20 10 DDCDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000848657286 703572561 /nfs/dbraw/zinc/57/25/61/703572561.db2.gz WGPYXDNTWGANII-UHFFFAOYSA-N 1 2 315.377 1.516 20 10 DDCDLO COc1ccc(N2CC[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000854981552 704465015 /nfs/dbraw/zinc/46/50/15/704465015.db2.gz VMOCSSUTSXKIBI-ZDUSSCGKSA-N 1 2 314.389 1.604 20 10 DDCDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000823835137 705326434 /nfs/dbraw/zinc/32/64/34/705326434.db2.gz UMUIKRJNHMRGNL-ZDUSSCGKSA-N 1 2 314.389 1.666 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835028073 707158388 /nfs/dbraw/zinc/15/83/88/707158388.db2.gz JFFOOGFTXKHIHV-PYTPGESOSA-N 1 2 317.433 1.603 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835028073 707158391 /nfs/dbraw/zinc/15/83/91/707158391.db2.gz JFFOOGFTXKHIHV-PYTPGESOSA-N 1 2 317.433 1.603 20 10 DDCDLO Cc1cccc(O)c1C[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000876549931 705754558 /nfs/dbraw/zinc/75/45/58/705754558.db2.gz ZRDJMLWCBHDJBV-AWEZNQCLSA-N 1 2 324.446 1.005 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877183766 706009836 /nfs/dbraw/zinc/00/98/36/706009836.db2.gz HXJSQBCJGLAURY-GXTWGEPZSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1Cc1ccc(C)cc1O ZINC000877183766 706009838 /nfs/dbraw/zinc/00/98/38/706009838.db2.gz HXJSQBCJGLAURY-GXTWGEPZSA-N 1 2 321.373 1.627 20 10 DDCDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877352091 706077022 /nfs/dbraw/zinc/07/70/22/706077022.db2.gz AWBRNTCKOLIKQZ-LLVKDONJSA-N 1 2 311.332 1.706 20 10 DDCDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877352091 706077024 /nfs/dbraw/zinc/07/70/24/706077024.db2.gz AWBRNTCKOLIKQZ-LLVKDONJSA-N 1 2 311.332 1.706 20 10 DDCDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1c(O)cccc1F ZINC000896636868 708104329 /nfs/dbraw/zinc/10/43/29/708104329.db2.gz ICPFASCFAAXVOV-UHFFFAOYSA-N 1 2 307.325 1.731 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000897063416 708221010 /nfs/dbraw/zinc/22/10/10/708221010.db2.gz VGAZLYOVISAPNQ-SECBINFHSA-N 1 2 304.799 1.156 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000897063416 708221013 /nfs/dbraw/zinc/22/10/13/708221013.db2.gz VGAZLYOVISAPNQ-SECBINFHSA-N 1 2 304.799 1.156 20 10 DDCDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc(F)cc(F)c1O ZINC000893959466 710901493 /nfs/dbraw/zinc/90/14/93/710901493.db2.gz LEXSSCMISGMNRT-UHFFFAOYSA-N 1 2 302.321 1.207 20 10 DDCDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(F)cc(F)c1O ZINC000893959466 710901496 /nfs/dbraw/zinc/90/14/96/710901496.db2.gz LEXSSCMISGMNRT-UHFFFAOYSA-N 1 2 302.321 1.207 20 10 DDCDLO CC1(C)CN(Cc2cc(F)cc(F)c2O)CC[N@@H+]1CCO ZINC000894530768 711166280 /nfs/dbraw/zinc/16/62/80/711166280.db2.gz MEZKPJRXXXHDJV-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO CC1(C)CN(Cc2cc(F)cc(F)c2O)CC[N@H+]1CCO ZINC000894530768 711166284 /nfs/dbraw/zinc/16/62/84/711166284.db2.gz MEZKPJRXXXHDJV-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO O=C1N=NCN1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000894611903 711214406 /nfs/dbraw/zinc/21/44/06/711214406.db2.gz ZMKDVNWDMXCAAZ-UHFFFAOYSA-N 1 2 310.304 1.805 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894836179 711290695 /nfs/dbraw/zinc/29/06/95/711290695.db2.gz HNSDMTOJFGPICG-NSHDSACASA-N 1 2 320.361 1.136 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894836179 711290697 /nfs/dbraw/zinc/29/06/97/711290697.db2.gz HNSDMTOJFGPICG-NSHDSACASA-N 1 2 320.361 1.136 20 10 DDCDLO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1O ZINC001205357973 744417432 /nfs/dbraw/zinc/41/74/32/744417432.db2.gz LNDTUTNLHYFHPT-NXEZZACHSA-N 1 2 321.602 1.312 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](CCCF)C2)cc1 ZINC001031463887 746852899 /nfs/dbraw/zinc/85/28/99/746852899.db2.gz AARXPQLDHXFEBY-UHFFFAOYSA-N 1 2 307.329 1.623 20 10 DDCDLO C[N@H+](CCNS(C)(=O)=O)Cc1cc(Cl)c(F)cc1O ZINC001117760421 780896180 /nfs/dbraw/zinc/89/61/80/780896180.db2.gz YTMYWPBCUTUVME-UHFFFAOYSA-N 1 2 310.778 1.166 20 10 DDCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001273285575 849335642 /nfs/dbraw/zinc/33/56/42/849335642.db2.gz SHPKPDKECTUUOF-LBPRGKRZSA-N 1 2 322.380 1.743 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356184 860074631 /nfs/dbraw/zinc/07/46/31/860074631.db2.gz JHZWQZDNZLMRDV-QGZVFWFLSA-N 1 2 318.417 1.833 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138356184 860074646 /nfs/dbraw/zinc/07/46/46/860074646.db2.gz JHZWQZDNZLMRDV-QGZVFWFLSA-N 1 2 318.417 1.833 20 10 DDCDLO CNC(=O)CC[N@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129263 860298415 /nfs/dbraw/zinc/29/84/15/860298415.db2.gz TWCOTBDIQLOWGV-UHFFFAOYSA-N 1 2 304.346 1.375 20 10 DDCDLO CNC(=O)CC[N@@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129263 860298419 /nfs/dbraw/zinc/29/84/19/860298419.db2.gz TWCOTBDIQLOWGV-UHFFFAOYSA-N 1 2 304.346 1.375 20 10 DDCDLO COc1ccc(N2CC[NH+](CN3C(=O)CC3(C)C)CC2)cc1 ZINC001333356244 866664029 /nfs/dbraw/zinc/66/40/29/866664029.db2.gz BSMMWGGBJAIEHU-UHFFFAOYSA-N 1 2 303.406 1.786 20 10 DDCDLO COC(=O)NC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001336755765 869125397 /nfs/dbraw/zinc/12/53/97/869125397.db2.gz WNWZLDUGZPJAIY-UHFFFAOYSA-N 1 2 319.405 1.188 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931103 870838694 /nfs/dbraw/zinc/83/86/94/870838694.db2.gz MXEOGWWPPZWGLX-CQSZACIVSA-N 1 2 315.421 1.627 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931103 870838707 /nfs/dbraw/zinc/83/87/07/870838707.db2.gz MXEOGWWPPZWGLX-CQSZACIVSA-N 1 2 315.421 1.627 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001203936494 870843874 /nfs/dbraw/zinc/84/38/74/870843874.db2.gz GBQQYUNRBDZQOQ-ACHSLPGTSA-N 1 2 318.417 1.905 20 10 DDCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1 ZINC001203936494 870843883 /nfs/dbraw/zinc/84/38/83/870843883.db2.gz GBQQYUNRBDZQOQ-ACHSLPGTSA-N 1 2 318.417 1.905 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001343496440 872648872 /nfs/dbraw/zinc/64/88/72/872648872.db2.gz ZYNYEFARLBBROT-JKSUJKDBSA-N 1 2 305.422 1.774 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001343496440 872648881 /nfs/dbraw/zinc/64/88/81/872648881.db2.gz ZYNYEFARLBBROT-JKSUJKDBSA-N 1 2 305.422 1.774 20 10 DDCDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001207723184 873506586 /nfs/dbraw/zinc/50/65/86/873506586.db2.gz CKEAQGRSYWDXCY-LLVKDONJSA-N 1 2 323.349 1.410 20 10 DDCDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001207723184 873506589 /nfs/dbraw/zinc/50/65/89/873506589.db2.gz CKEAQGRSYWDXCY-LLVKDONJSA-N 1 2 323.349 1.410 20 10 DDCDLO CN(C)C(=O)[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1O ZINC001277441831 884295341 /nfs/dbraw/zinc/29/53/41/884295341.db2.gz QDDMDVPCQKZKBB-HNNXBMFYSA-N 1 2 314.389 1.451 20 10 DDCDLO CN(C)C(=O)[C@@H]1CCn2nccc2C[N@H+]1Cc1ccccc1O ZINC001277441831 884295357 /nfs/dbraw/zinc/29/53/57/884295357.db2.gz QDDMDVPCQKZKBB-HNNXBMFYSA-N 1 2 314.389 1.451 20 10 DDCDLO O=C(NCC(F)F)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277483826 885180416 /nfs/dbraw/zinc/18/04/16/885180416.db2.gz CRTFRTHHHRVELN-PSLIRLAXSA-N 1 2 314.307 1.877 20 10 DDCDLO O=C(NCC(F)F)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277483826 885180422 /nfs/dbraw/zinc/18/04/22/885180422.db2.gz CRTFRTHHHRVELN-PSLIRLAXSA-N 1 2 314.307 1.877 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)CCN1C ZINC001231854279 885906617 /nfs/dbraw/zinc/90/66/17/885906617.db2.gz DVRVJQLJAOUIGK-HNNXBMFYSA-N 1 2 321.421 1.050 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)CCN1C ZINC001231854279 885906633 /nfs/dbraw/zinc/90/66/33/885906633.db2.gz DVRVJQLJAOUIGK-HNNXBMFYSA-N 1 2 321.421 1.050 20 10 DDCDLO OCCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237616736 889759699 /nfs/dbraw/zinc/75/96/99/889759699.db2.gz GQHFSCYLKIAVNZ-UHFFFAOYSA-N 1 2 302.777 1.685 20 10 DDCDLO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000187789473 299299366 /nfs/dbraw/zinc/29/93/66/299299366.db2.gz BVINQKKJULQKSL-VIFPVBQESA-N 1 2 323.361 1.382 20 10 DDCDLO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000187789491 296126032 /nfs/dbraw/zinc/12/60/32/296126032.db2.gz BVINQKKJULQKSL-SECBINFHSA-N 1 2 323.361 1.382 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000288466002 285136882 /nfs/dbraw/zinc/13/68/82/285136882.db2.gz FGCNWFQQTAADJC-CZUORRHYSA-N 1 2 316.313 1.885 20 10 DDCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(O)c1O ZINC000287583736 131287831 /nfs/dbraw/zinc/28/78/31/131287831.db2.gz XPVHQVJUULKPCZ-VXGBXAGGSA-N 1 2 306.362 1.033 20 10 DDCDLO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1O ZINC000187910087 407904369 /nfs/dbraw/zinc/90/43/69/407904369.db2.gz HZFAMZJRKYTWBJ-MRVPVSSYSA-N 1 2 310.304 1.474 20 10 DDCDLO O=C(NCc1ccccc1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000279921415 409254132 /nfs/dbraw/zinc/25/41/32/409254132.db2.gz NSBYZIKOLBJNRP-OAHLLOKOSA-N 1 2 304.390 1.652 20 10 DDCDLO O=C(NCc1ccccc1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000279921415 409254135 /nfs/dbraw/zinc/25/41/35/409254135.db2.gz NSBYZIKOLBJNRP-OAHLLOKOSA-N 1 2 304.390 1.652 20 10 DDCDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295440443 409482430 /nfs/dbraw/zinc/48/24/30/409482430.db2.gz ULNKBHMBCTYWLL-SECBINFHSA-N 1 2 316.760 1.210 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000363795226 518278570 /nfs/dbraw/zinc/27/85/70/518278570.db2.gz NJMLZQBEWKODOJ-CQSZACIVSA-N 1 2 324.808 1.765 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000363795226 518278574 /nfs/dbraw/zinc/27/85/74/518278574.db2.gz NJMLZQBEWKODOJ-CQSZACIVSA-N 1 2 324.808 1.765 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCN(CCOC)C(=O)C2)c1 ZINC000181574442 521148573 /nfs/dbraw/zinc/14/85/73/521148573.db2.gz SBIZVCNCQDVTRM-UHFFFAOYSA-N 1 2 308.378 1.082 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCN(CCOC)C(=O)C2)c1 ZINC000181574442 521148583 /nfs/dbraw/zinc/14/85/83/521148583.db2.gz SBIZVCNCQDVTRM-UHFFFAOYSA-N 1 2 308.378 1.082 20 10 DDCDLO Cn1cnnc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232881 696643052 /nfs/dbraw/zinc/64/30/52/696643052.db2.gz AFYBCEDSUCTALT-CQSZACIVSA-N 1 2 302.378 1.702 20 10 DDCDLO Cn1cnnc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232881 696643053 /nfs/dbraw/zinc/64/30/53/696643053.db2.gz AFYBCEDSUCTALT-CQSZACIVSA-N 1 2 302.378 1.702 20 10 DDCDLO COc1c(O)c(C[NH2+]Cc2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000775056404 697958541 /nfs/dbraw/zinc/95/85/41/697958541.db2.gz YGXSEXFCKOJDKS-UHFFFAOYSA-N 1 2 310.335 1.759 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)NCc1ccccc1O)[NH+]1CCOCC1 ZINC000729607236 699483231 /nfs/dbraw/zinc/48/32/31/699483231.db2.gz WVOXBZCAKWQSIJ-QWHCGFSZSA-N 1 2 307.394 1.301 20 10 DDCDLO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756683562 700635167 /nfs/dbraw/zinc/63/51/67/700635167.db2.gz RTTRDRFCAJOXJK-VIFPVBQESA-N 1 2 322.377 1.649 20 10 DDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448702 701177965 /nfs/dbraw/zinc/17/79/65/701177965.db2.gz VNIQMKLDRKXIQK-BYZCQQOISA-N 1 2 311.403 1.159 20 10 DDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448702 701177967 /nfs/dbraw/zinc/17/79/67/701177967.db2.gz VNIQMKLDRKXIQK-BYZCQQOISA-N 1 2 311.403 1.159 20 10 DDCDLO O=C1N=C(N2CCOCC2)S/C1=C\c1cccc2[nH+]ccn21 ZINC000769607473 701250200 /nfs/dbraw/zinc/25/02/00/701250200.db2.gz LIXLFAQAXATBAV-BENRWUELSA-N 1 2 314.370 1.637 20 10 DDCDLO COc1cccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1O ZINC000844133033 702976031 /nfs/dbraw/zinc/97/60/31/702976031.db2.gz QKWNRFBCEIEWPI-LBPRGKRZSA-N 1 2 301.346 1.476 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000866765120 706793326 /nfs/dbraw/zinc/79/33/26/706793326.db2.gz RVDVCMNPGIUWHZ-ITDFMYJTSA-N 1 2 320.389 1.466 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC000825017186 705578458 /nfs/dbraw/zinc/57/84/58/705578458.db2.gz ODYVRFZUBYWVGI-UHFFFAOYSA-N 1 2 317.345 1.469 20 10 DDCDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1cc(OC)ccc1O)CC2 ZINC000825017186 705578462 /nfs/dbraw/zinc/57/84/62/705578462.db2.gz ODYVRFZUBYWVGI-UHFFFAOYSA-N 1 2 317.345 1.469 20 10 DDCDLO CN(C)c1cc(F)c(C[N@@H+]2CCSC[C@H]2CO)cc1F ZINC000877780622 706208369 /nfs/dbraw/zinc/20/83/69/706208369.db2.gz WSBIKWCZEZMWDZ-LLVKDONJSA-N 1 2 302.390 1.941 20 10 DDCDLO CN(C)c1cc(F)c(C[N@H+]2CCSC[C@H]2CO)cc1F ZINC000877780622 706208371 /nfs/dbraw/zinc/20/83/71/706208371.db2.gz WSBIKWCZEZMWDZ-LLVKDONJSA-N 1 2 302.390 1.941 20 10 DDCDLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896726518 708132587 /nfs/dbraw/zinc/13/25/87/708132587.db2.gz NXYLALODXZBBBZ-UHFFFAOYSA-N 1 2 324.805 1.602 20 10 DDCDLO CCn1cc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)nn1 ZINC000899879352 709225029 /nfs/dbraw/zinc/22/50/29/709225029.db2.gz DJQUMUNMMDBCLI-UHFFFAOYSA-N 1 2 303.410 1.875 20 10 DDCDLO CCn1cc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)nn1 ZINC000899879352 709225031 /nfs/dbraw/zinc/22/50/31/709225031.db2.gz DJQUMUNMMDBCLI-UHFFFAOYSA-N 1 2 303.410 1.875 20 10 DDCDLO Cc1nc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n[nH]1 ZINC000895264763 711470705 /nfs/dbraw/zinc/47/07/05/711470705.db2.gz GBFWAGBRQCVRIT-UHFFFAOYSA-N 1 2 315.421 1.753 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895392058 711501223 /nfs/dbraw/zinc/50/12/23/711501223.db2.gz KMWRDBIAQQRKKA-AWEZNQCLSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895392058 711501224 /nfs/dbraw/zinc/50/12/24/711501224.db2.gz KMWRDBIAQQRKKA-AWEZNQCLSA-N 1 2 301.289 1.434 20 10 DDCDLO COc1cc(C[NH+]2CCN(c3cccnc3)CC2)cc(O)c1O ZINC001204343419 743644502 /nfs/dbraw/zinc/64/45/02/743644502.db2.gz PWHUJXMHGADLIA-UHFFFAOYSA-N 1 2 315.373 1.824 20 10 DDCDLO O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001148583758 773538438 /nfs/dbraw/zinc/53/84/38/773538438.db2.gz AARCJFGPCBNYFP-VIFPVBQESA-N 1 2 303.318 1.546 20 10 DDCDLO Cc1cc(O)c(C[NH2+]Cc2nnc3c(=O)[nH]ccn23)c(Cl)c1 ZINC001179610891 779427968 /nfs/dbraw/zinc/42/79/68/779427968.db2.gz BCRKFOZXFQTGGG-UHFFFAOYSA-N 1 2 319.752 1.375 20 10 DDCDLO O=C(CNc1cc(-n2ccnc2)cc[nH+]1)c1ccc(O)c(O)c1 ZINC001159280432 865198892 /nfs/dbraw/zinc/19/88/92/865198892.db2.gz QTHAVQKOZACUCK-UHFFFAOYSA-N 1 2 310.313 1.973 20 10 DDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1[nH+]ccn1C ZINC001348633365 874684781 /nfs/dbraw/zinc/68/47/81/874684781.db2.gz YESDHMNPDGMQBV-UHFFFAOYSA-N 1 2 308.378 1.860 20 10 DDCDLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231843827 885902513 /nfs/dbraw/zinc/90/25/13/885902513.db2.gz BQDXSVCRICLWLB-AWEZNQCLSA-N 1 2 320.389 1.263 20 10 DDCDLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231843827 885902520 /nfs/dbraw/zinc/90/25/20/885902520.db2.gz BQDXSVCRICLWLB-AWEZNQCLSA-N 1 2 320.389 1.263 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232836952 886622922 /nfs/dbraw/zinc/62/29/22/886622922.db2.gz XKMMDDQGIKZTQG-CQSZACIVSA-N 1 2 320.389 1.412 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232836952 886622937 /nfs/dbraw/zinc/62/29/37/886622937.db2.gz XKMMDDQGIKZTQG-CQSZACIVSA-N 1 2 320.389 1.412 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC1=O ZINC001232836952 886622962 /nfs/dbraw/zinc/62/29/62/886622962.db2.gz XKMMDDQGIKZTQG-CQSZACIVSA-N 1 2 320.389 1.412 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCC1=O ZINC001232836952 886622971 /nfs/dbraw/zinc/62/29/71/886622971.db2.gz XKMMDDQGIKZTQG-CQSZACIVSA-N 1 2 320.389 1.412 20 10 DDCDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010005 886721517 /nfs/dbraw/zinc/72/15/17/886721517.db2.gz GXTFFCJCRQIDOZ-NXEZZACHSA-N 1 2 321.295 1.939 20 10 DDCDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010005 886721527 /nfs/dbraw/zinc/72/15/27/886721527.db2.gz GXTFFCJCRQIDOZ-NXEZZACHSA-N 1 2 321.295 1.939 20 10 DDCDLO COc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1Cl ZINC001236802528 889363810 /nfs/dbraw/zinc/36/38/10/889363810.db2.gz RUZNQEOJWSFUKG-TXEJJXNPSA-N 1 2 301.770 1.900 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1Cl ZINC001236801651 889365845 /nfs/dbraw/zinc/36/58/45/889365845.db2.gz KPBAHQAFEZAUAY-DOMZBBRYSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1Cl ZINC001236801651 889365856 /nfs/dbraw/zinc/36/58/56/889365856.db2.gz KPBAHQAFEZAUAY-DOMZBBRYSA-N 1 2 315.797 1.619 20 10 DDCDLO CCOC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)nn1C ZINC001250549310 894324566 /nfs/dbraw/zinc/32/45/66/894324566.db2.gz VTWHPQSDKVXAPQ-UHFFFAOYSA-N 1 2 303.362 1.934 20 10 DDCDLO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)nn1C ZINC001250549310 894324581 /nfs/dbraw/zinc/32/45/81/894324581.db2.gz VTWHPQSDKVXAPQ-UHFFFAOYSA-N 1 2 303.362 1.934 20 10 DDCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@H]2N1 ZINC000092703455 185334269 /nfs/dbraw/zinc/33/42/69/185334269.db2.gz JDBPMICYTAUWHX-NEPJUHHUSA-N 1 2 304.346 1.364 20 10 DDCDLO O=C1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@H]2N1 ZINC000092703455 185334270 /nfs/dbraw/zinc/33/42/70/185334270.db2.gz JDBPMICYTAUWHX-NEPJUHHUSA-N 1 2 304.346 1.364 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909683 130272892 /nfs/dbraw/zinc/27/28/92/130272892.db2.gz JRSXVUOVYYBZJS-CMPLNLGQSA-N 1 2 307.346 1.894 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274909683 130272895 /nfs/dbraw/zinc/27/28/95/130272895.db2.gz JRSXVUOVYYBZJS-CMPLNLGQSA-N 1 2 307.346 1.894 20 10 DDCDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000097653818 407301325 /nfs/dbraw/zinc/30/13/25/407301325.db2.gz ZVZOWYPCHSYVKL-UHFFFAOYSA-N 1 2 305.422 1.686 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000126072425 407404253 /nfs/dbraw/zinc/40/42/53/407404253.db2.gz MNBBGDQDQJMTFF-GSDQLPOLSA-N 1 2 301.383 1.933 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000126072425 407404255 /nfs/dbraw/zinc/40/42/55/407404255.db2.gz MNBBGDQDQJMTFF-GSDQLPOLSA-N 1 2 301.383 1.933 20 10 DDCDLO Cc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c(O)c1O ZINC000182245552 408107053 /nfs/dbraw/zinc/10/70/53/408107053.db2.gz XLTFSDIDEOLVBO-UHFFFAOYSA-N 1 2 324.340 1.917 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184696042 408671183 /nfs/dbraw/zinc/67/11/83/408671183.db2.gz GEOZNDFRMVPFIC-LBPRGKRZSA-N 1 2 301.770 1.901 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184696042 408671186 /nfs/dbraw/zinc/67/11/86/408671186.db2.gz GEOZNDFRMVPFIC-LBPRGKRZSA-N 1 2 301.770 1.901 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278205118 409077269 /nfs/dbraw/zinc/07/72/69/409077269.db2.gz JOTIYDZGTGHOOV-JTQLQIEISA-N 1 2 323.349 1.362 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278205118 409077273 /nfs/dbraw/zinc/07/72/73/409077273.db2.gz JOTIYDZGTGHOOV-JTQLQIEISA-N 1 2 323.349 1.362 20 10 DDCDLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000278745011 409088334 /nfs/dbraw/zinc/08/83/34/409088334.db2.gz MSJSFLFGOJKXBI-UHFFFAOYSA-N 1 2 318.398 1.710 20 10 DDCDLO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)[NH+]1CCOCC1 ZINC000295369089 409452800 /nfs/dbraw/zinc/45/28/00/409452800.db2.gz WNPTWXIIDNHFCM-UWVGGRQHSA-N 1 2 312.341 1.076 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373732384 418453826 /nfs/dbraw/zinc/45/38/26/418453826.db2.gz FDIWOTUEZLMOBM-YPMHNXCESA-N 1 2 315.373 1.604 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000253294362 222248504 /nfs/dbraw/zinc/24/85/04/222248504.db2.gz GVRSLNKGVVTWCH-OLZOCXBDSA-N 1 2 313.781 1.852 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000253294362 222248506 /nfs/dbraw/zinc/24/85/06/222248506.db2.gz GVRSLNKGVVTWCH-OLZOCXBDSA-N 1 2 313.781 1.852 20 10 DDCDLO Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(O)c1O ZINC000370360422 418743095 /nfs/dbraw/zinc/74/30/95/418743095.db2.gz UFLAMAPQPIUDLC-NSHDSACASA-N 1 2 301.346 1.769 20 10 DDCDLO CN(C)c1ncnc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000373121876 418929078 /nfs/dbraw/zinc/92/90/78/418929078.db2.gz DAMKEVJPMPSCFR-UHFFFAOYSA-N 1 2 302.353 1.946 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000189402962 518284904 /nfs/dbraw/zinc/28/49/04/518284904.db2.gz QQUGKGLQIGGWIN-NSHDSACASA-N 1 2 310.369 1.232 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C(F)F)C1)[C@@H](O)CO2 ZINC000800853478 700249230 /nfs/dbraw/zinc/24/92/30/700249230.db2.gz RIBKSMWXOZDFPN-AAEUAGOBSA-N 1 2 301.289 1.284 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C(F)F)C1)[C@@H](O)CO2 ZINC000800853478 700249232 /nfs/dbraw/zinc/24/92/32/700249232.db2.gz RIBKSMWXOZDFPN-AAEUAGOBSA-N 1 2 301.289 1.284 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CO)O1 ZINC000787417679 699210944 /nfs/dbraw/zinc/21/09/44/699210944.db2.gz MSUTYQAPBZFNGN-ZFWWWQNUSA-N 1 2 324.396 1.244 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CO)O1 ZINC000787417679 699210946 /nfs/dbraw/zinc/21/09/46/699210946.db2.gz MSUTYQAPBZFNGN-ZFWWWQNUSA-N 1 2 324.396 1.244 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)c(O)c1 ZINC000769445847 701245148 /nfs/dbraw/zinc/24/51/48/701245148.db2.gz GXXSSGKOTSRIIY-OAHLLOKOSA-N 1 2 308.378 1.128 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)c(O)c1 ZINC000769445847 701245150 /nfs/dbraw/zinc/24/51/50/701245150.db2.gz GXXSSGKOTSRIIY-OAHLLOKOSA-N 1 2 308.378 1.128 20 10 DDCDLO COCC(=O)N1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909370 702276343 /nfs/dbraw/zinc/27/63/43/702276343.db2.gz AMFZIYOGCFMJAI-UHFFFAOYSA-N 1 2 312.797 1.645 20 10 DDCDLO COc1ccc(N2CC[NH+](CCc3c[nH]nn3)CC2)c(OC)c1 ZINC000879461634 706686006 /nfs/dbraw/zinc/68/60/06/706686006.db2.gz DAOXKGAKLQRDSL-UHFFFAOYSA-N 1 2 317.393 1.187 20 10 DDCDLO Oc1c(F)cc(Cl)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843422237 702877988 /nfs/dbraw/zinc/87/79/88/702877988.db2.gz SXBAVWYBMXXUFB-GFCCVEGCSA-N 1 2 300.761 1.436 20 10 DDCDLO Oc1c(F)cc(Cl)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843422237 702877990 /nfs/dbraw/zinc/87/79/90/702877990.db2.gz SXBAVWYBMXXUFB-GFCCVEGCSA-N 1 2 300.761 1.436 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000831925038 706804582 /nfs/dbraw/zinc/80/45/82/706804582.db2.gz RLFBYVOQQJARNH-WCQYABFASA-N 1 2 315.373 1.604 20 10 DDCDLO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(O)c1O ZINC000854727573 704444997 /nfs/dbraw/zinc/44/49/97/704444997.db2.gz LWQNUXQFVAADGW-CYBMUJFWSA-N 1 2 320.389 1.343 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1OC ZINC000894159132 710991981 /nfs/dbraw/zinc/99/19/81/710991981.db2.gz SDIXNNHHRYTQSK-STQMWFEESA-N 1 2 324.421 1.296 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1OC ZINC000894159132 710991982 /nfs/dbraw/zinc/99/19/82/710991982.db2.gz SDIXNNHHRYTQSK-STQMWFEESA-N 1 2 324.421 1.296 20 10 DDCDLO COCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876618428 705786215 /nfs/dbraw/zinc/78/62/15/705786215.db2.gz VDZMBBLIDLUZBR-UHFFFAOYSA-N 1 2 314.332 1.397 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877749142 706198112 /nfs/dbraw/zinc/19/81/12/706198112.db2.gz HCZRCJAJHABZRO-NEPJUHHUSA-N 1 2 316.195 1.391 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877749142 706198114 /nfs/dbraw/zinc/19/81/14/706198114.db2.gz HCZRCJAJHABZRO-NEPJUHHUSA-N 1 2 316.195 1.391 20 10 DDCDLO COc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c(O)c1OC ZINC000894599836 711203360 /nfs/dbraw/zinc/20/33/60/711203360.db2.gz UMGOWJWQSCHWSJ-LLVKDONJSA-N 1 2 309.362 1.935 20 10 DDCDLO COc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c(O)c1OC ZINC000894599836 711203365 /nfs/dbraw/zinc/20/33/65/711203365.db2.gz UMGOWJWQSCHWSJ-LLVKDONJSA-N 1 2 309.362 1.935 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000691673825 744810025 /nfs/dbraw/zinc/81/00/25/744810025.db2.gz FAPRMWDSDTVMDL-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000691673825 744810027 /nfs/dbraw/zinc/81/00/27/744810027.db2.gz FAPRMWDSDTVMDL-LLVKDONJSA-N 1 2 313.195 1.865 20 10 DDCDLO COc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc(O)c1O ZINC001193098631 745976735 /nfs/dbraw/zinc/97/67/35/745976735.db2.gz VENDAJHQJUKAOE-UHFFFAOYSA-N 1 2 317.345 1.780 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237125423 846662560 /nfs/dbraw/zinc/66/25/60/846662560.db2.gz ZHJUHPCZBKTAFI-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237125423 846662565 /nfs/dbraw/zinc/66/25/65/846662565.db2.gz ZHJUHPCZBKTAFI-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821492 853817265 /nfs/dbraw/zinc/81/72/65/853817265.db2.gz RIUPRTHKMYILLR-OKILXGFUSA-N 1 2 319.405 1.864 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001275821492 853817269 /nfs/dbraw/zinc/81/72/69/853817269.db2.gz RIUPRTHKMYILLR-OKILXGFUSA-N 1 2 319.405 1.864 20 10 DDCDLO CN(C)c1ncc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001138352385 860069046 /nfs/dbraw/zinc/06/90/46/860069046.db2.gz FNXFZUOHPUAOOG-UHFFFAOYSA-N 1 2 314.389 1.902 20 10 DDCDLO CN(C)c1ncc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001138352385 860069051 /nfs/dbraw/zinc/06/90/51/860069051.db2.gz FNXFZUOHPUAOOG-UHFFFAOYSA-N 1 2 314.389 1.902 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(OC)c1 ZINC001138390442 860085745 /nfs/dbraw/zinc/08/57/45/860085745.db2.gz XBMZJTDYELHMGE-INIZCTEOSA-N 1 2 321.421 1.228 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(OC)c1 ZINC001138390442 860085755 /nfs/dbraw/zinc/08/57/55/860085755.db2.gz XBMZJTDYELHMGE-INIZCTEOSA-N 1 2 321.421 1.228 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CC(=O)NC4(CCCC4)C3)ccc21 ZINC001141146474 860795236 /nfs/dbraw/zinc/79/52/36/860795236.db2.gz WOFXTGFXFDTRML-UHFFFAOYSA-N 1 2 315.417 1.760 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CC(=O)NC4(CCCC4)C3)ccc21 ZINC001141146474 860795241 /nfs/dbraw/zinc/79/52/41/860795241.db2.gz WOFXTGFXFDTRML-UHFFFAOYSA-N 1 2 315.417 1.760 20 10 DDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC001142502525 861166240 /nfs/dbraw/zinc/16/62/40/861166240.db2.gz QYYCUTMZIINEJE-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO COc1cccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)N(C)C)O3)c1O ZINC001277451377 884394469 /nfs/dbraw/zinc/39/44/69/884394469.db2.gz DHRTYAIEGFNPGI-AWEZNQCLSA-N 1 2 320.389 1.222 20 10 DDCDLO O=C(Nc1nnco1)[C@]12C[C@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001277658021 886324596 /nfs/dbraw/zinc/32/45/96/886324596.db2.gz WNNQMWBCZUBWSQ-BMIGLBTASA-N 1 2 316.317 1.084 20 10 DDCDLO O=C(Nc1nnco1)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001277658021 886324613 /nfs/dbraw/zinc/32/46/13/886324613.db2.gz WNNQMWBCZUBWSQ-BMIGLBTASA-N 1 2 316.317 1.084 20 10 DDCDLO COC(=O)c1c(C[NH+]2CC(C(=O)OC)C2)c2ccccc2n1C ZINC001232403405 886336745 /nfs/dbraw/zinc/33/67/45/886336745.db2.gz XSXKSHKFJVFJDS-UHFFFAOYSA-N 1 2 316.357 1.570 20 10 DDCDLO O=C([C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(O)c1)N1CCCC1 ZINC001233011532 886724129 /nfs/dbraw/zinc/72/41/29/886724129.db2.gz CMBGOFUVPAVKKB-ZDUSSCGKSA-N 1 2 320.389 1.780 20 10 DDCDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(O)c1)N1CCCC1 ZINC001233011532 886724135 /nfs/dbraw/zinc/72/41/35/886724135.db2.gz CMBGOFUVPAVKKB-ZDUSSCGKSA-N 1 2 320.389 1.780 20 10 DDCDLO Oc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(O)c1O ZINC001233014536 886728151 /nfs/dbraw/zinc/72/81/51/886728151.db2.gz UUWLOJGJHAPDHR-UHFFFAOYSA-N 1 2 315.373 1.516 20 10 DDCDLO COc1cc(Cl)cc(C[NH+]2CC(N3CC(F)C3)C2)c1O ZINC001233287187 886899685 /nfs/dbraw/zinc/89/96/85/886899685.db2.gz AATGFIIEKWIKCC-UHFFFAOYSA-N 1 2 300.761 1.892 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccn3)C2)cc1O ZINC001233485540 887020043 /nfs/dbraw/zinc/02/00/43/887020043.db2.gz AGNWBQCEHHKYJI-INIZCTEOSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccn3)C2)cc1O ZINC001233485540 887020049 /nfs/dbraw/zinc/02/00/49/887020049.db2.gz AGNWBQCEHHKYJI-INIZCTEOSA-N 1 2 302.330 1.772 20 10 DDCDLO C[C@H]1CN(C2C[NH+](Cc3cc(O)c(O)cc3O)C2)C[C@H](C)O1 ZINC001233487644 887020808 /nfs/dbraw/zinc/02/08/08/887020808.db2.gz MNYSZEMKQYTHDJ-QWRGUYRKSA-N 1 2 308.378 1.097 20 10 DDCDLO O=C1NCC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)N1 ZINC001237622947 889765868 /nfs/dbraw/zinc/76/58/68/889765868.db2.gz FWACHDOOFQEBOO-UHFFFAOYSA-N 1 2 313.760 1.832 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237803000 889854762 /nfs/dbraw/zinc/85/47/62/889854762.db2.gz PTHSBBVDLFMPCP-NSHDSACASA-N 1 2 317.744 1.949 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237803000 889854771 /nfs/dbraw/zinc/85/47/71/889854771.db2.gz PTHSBBVDLFMPCP-NSHDSACASA-N 1 2 317.744 1.949 20 10 DDCDLO O=C(NCc1cccc(O)c1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001263894394 900803664 /nfs/dbraw/zinc/80/36/64/900803664.db2.gz DTYNTQCOFXFIKZ-CQSZACIVSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C(NCc1cccc(O)c1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001263894394 900803674 /nfs/dbraw/zinc/80/36/74/900803674.db2.gz DTYNTQCOFXFIKZ-CQSZACIVSA-N 1 2 320.389 1.357 20 10 DDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000048141288 352527691 /nfs/dbraw/zinc/52/76/91/352527691.db2.gz AADWCKLSVPDPPH-ZDUSSCGKSA-N 1 2 301.394 1.837 20 10 DDCDLO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1O ZINC000280850432 299284522 /nfs/dbraw/zinc/28/45/22/299284522.db2.gz BLVPSXNEXDUUOA-QMMMGPOBSA-N 1 2 305.346 1.898 20 10 DDCDLO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000280192793 299313828 /nfs/dbraw/zinc/31/38/28/299313828.db2.gz AWYVPJGHGLGORS-GARJFASQSA-N 1 2 301.333 1.966 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)N(C)Cc1ccccc1O)[NH+]1CCOCC1 ZINC000105301142 194095811 /nfs/dbraw/zinc/09/58/11/194095811.db2.gz NMMIOSFULPDZHN-UONOGXRCSA-N 1 2 321.421 1.643 20 10 DDCDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1O ZINC000106583277 194233551 /nfs/dbraw/zinc/23/35/51/194233551.db2.gz MTRKIWFLWSACCN-CQSZACIVSA-N 1 2 320.437 1.170 20 10 DDCDLO CCOc1cccc(C[N@H+](C)Cc2nc(CCOC)no2)c1O ZINC000093587222 407198883 /nfs/dbraw/zinc/19/88/83/407198883.db2.gz MVTJQNLQNUFTEV-UHFFFAOYSA-N 1 2 321.377 1.995 20 10 DDCDLO CCOc1cccc(C[N@@H+](C)Cc2nc(CCOC)no2)c1O ZINC000093587222 407198888 /nfs/dbraw/zinc/19/88/88/407198888.db2.gz MVTJQNLQNUFTEV-UHFFFAOYSA-N 1 2 321.377 1.995 20 10 DDCDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122054061 408249041 /nfs/dbraw/zinc/24/90/41/408249041.db2.gz BVYNOYCBMQOWAK-UHFFFAOYSA-N 1 2 323.412 1.825 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH+]cn1C ZINC000281390697 408884413 /nfs/dbraw/zinc/88/44/13/408884413.db2.gz YXLKPVZSLIPFOW-LLVKDONJSA-N 1 2 303.362 1.511 20 10 DDCDLO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000280192797 409267272 /nfs/dbraw/zinc/26/72/72/409267272.db2.gz AWYVPJGHGLGORS-HBNTYKKESA-N 1 2 301.333 1.966 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000359958524 410973051 /nfs/dbraw/zinc/97/30/51/410973051.db2.gz KEQREOUZFVJMIH-NSHDSACASA-N 1 2 312.753 1.691 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000359958524 410973056 /nfs/dbraw/zinc/97/30/56/410973056.db2.gz KEQREOUZFVJMIH-NSHDSACASA-N 1 2 312.753 1.691 20 10 DDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000367302291 418581691 /nfs/dbraw/zinc/58/16/91/418581691.db2.gz GSFZXJBBJLBOEM-QGZVFWFLSA-N 1 2 319.449 1.822 20 10 DDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COCC[N@H+]1CC ZINC000367302291 418581692 /nfs/dbraw/zinc/58/16/92/418581692.db2.gz GSFZXJBBJLBOEM-QGZVFWFLSA-N 1 2 319.449 1.822 20 10 DDCDLO COc1cc(O)c(CN2CCn3cc(C)[nH+]c3C2)cc1OC ZINC000367811422 418637932 /nfs/dbraw/zinc/63/79/32/418637932.db2.gz UWSSEFVHEWDUSB-UHFFFAOYSA-N 1 2 303.362 1.930 20 10 DDCDLO COc1cccc(C[NH+]2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000371326177 418779382 /nfs/dbraw/zinc/77/93/82/418779382.db2.gz HYRVYFWQGRPMKS-LSDHHAIUSA-N 1 2 306.406 1.432 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365337097 418852795 /nfs/dbraw/zinc/85/27/95/418852795.db2.gz OKDHOKHMBONRAF-CYBMUJFWSA-N 1 2 308.334 1.920 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365337097 418852796 /nfs/dbraw/zinc/85/27/96/418852796.db2.gz OKDHOKHMBONRAF-CYBMUJFWSA-N 1 2 308.334 1.920 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373195906 418931412 /nfs/dbraw/zinc/93/14/12/418931412.db2.gz OZMDQRKDHQDGIH-UHFFFAOYSA-N 1 2 321.377 1.979 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373195906 418931413 /nfs/dbraw/zinc/93/14/13/418931413.db2.gz OZMDQRKDHQDGIH-UHFFFAOYSA-N 1 2 321.377 1.979 20 10 DDCDLO COC[C@@H](O)CC[NH2+]Cc1cccc(Br)c1O ZINC000231608266 697786933 /nfs/dbraw/zinc/78/69/33/697786933.db2.gz UNUVMSWNWCRQFH-JTQLQIEISA-N 1 2 304.184 1.642 20 10 DDCDLO CCN1OC[C@@H]([N@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000852211015 703968875 /nfs/dbraw/zinc/96/88/75/703968875.db2.gz FISCKSVOLOKQLE-OAHLLOKOSA-N 1 2 307.394 1.226 20 10 DDCDLO CCN1OC[C@@H]([N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000852211015 703968880 /nfs/dbraw/zinc/96/88/80/703968880.db2.gz FISCKSVOLOKQLE-OAHLLOKOSA-N 1 2 307.394 1.226 20 10 DDCDLO C[C@]1(C(F)F)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853634872 704290683 /nfs/dbraw/zinc/29/06/83/704290683.db2.gz QVKCRJOTWBNCID-IUODEOHRSA-N 1 2 315.316 1.674 20 10 DDCDLO C[C@]1(C(F)F)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853634872 704290686 /nfs/dbraw/zinc/29/06/86/704290686.db2.gz QVKCRJOTWBNCID-IUODEOHRSA-N 1 2 315.316 1.674 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000858235591 704682957 /nfs/dbraw/zinc/68/29/57/704682957.db2.gz NCKGLALKKQSHPW-KGLIPLIRSA-N 1 2 321.421 1.609 20 10 DDCDLO O=C(NCCCSc1nccs1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875375256 705368482 /nfs/dbraw/zinc/36/84/82/705368482.db2.gz ZAORENPLOIOOKF-JTQLQIEISA-N 1 2 323.447 1.746 20 10 DDCDLO Cn1cc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000877632107 706165415 /nfs/dbraw/zinc/16/54/15/706165415.db2.gz YOZOLLRZZKEXQW-UHFFFAOYSA-N 1 2 315.421 1.408 20 10 DDCDLO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000877632107 706165417 /nfs/dbraw/zinc/16/54/17/706165417.db2.gz YOZOLLRZZKEXQW-UHFFFAOYSA-N 1 2 315.421 1.408 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877652781 706171143 /nfs/dbraw/zinc/17/11/43/706171143.db2.gz OALQGPBLTYJBDD-AWEZNQCLSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877652781 706171145 /nfs/dbraw/zinc/17/11/45/706171145.db2.gz OALQGPBLTYJBDD-AWEZNQCLSA-N 1 2 301.289 1.434 20 10 DDCDLO c1cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc2c1OCC2 ZINC000865686736 706496625 /nfs/dbraw/zinc/49/66/25/706496625.db2.gz HWPVUOCGSYBBDR-UHFFFAOYSA-N 1 2 314.389 1.923 20 10 DDCDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000880503454 706996908 /nfs/dbraw/zinc/99/69/08/706996908.db2.gz YACGXZHGFVBFFY-QWHCGFSZSA-N 1 2 310.419 1.683 20 10 DDCDLO CCO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000926961490 712923321 /nfs/dbraw/zinc/92/33/21/712923321.db2.gz PFBAMEOMSIWLRT-YPMHNXCESA-N 1 2 311.382 1.918 20 10 DDCDLO O=C1OC[C@]2(C[NH2+]Cc3cccc(Cl)c3O)COCCN12 ZINC000872263105 707354095 /nfs/dbraw/zinc/35/40/95/707354095.db2.gz WEMPATNBWSWOIQ-AWEZNQCLSA-N 1 2 312.753 1.356 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000838743625 707971950 /nfs/dbraw/zinc/97/19/50/707971950.db2.gz VJMPQVITBGDUTQ-UHFFFAOYSA-N 1 2 315.421 1.870 20 10 DDCDLO O=C1NC[C@H](O)CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000897042070 708214216 /nfs/dbraw/zinc/21/42/16/708214216.db2.gz MDAAMYQAIMRDRL-GFCCVEGCSA-N 1 2 324.808 1.509 20 10 DDCDLO C[C@@]1([NH2+]Cc2cc(Br)cc(F)c2O)CCNC1=O ZINC000897866919 708475219 /nfs/dbraw/zinc/47/52/19/708475219.db2.gz JVJBHKRRLYDKGC-GFCCVEGCSA-N 1 2 317.158 1.662 20 10 DDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)CNc1cccc[nH+]1 ZINC000900895085 709815468 /nfs/dbraw/zinc/81/54/68/709815468.db2.gz LRGABMYBZUZQLV-UHFFFAOYSA-N 1 2 312.373 1.985 20 10 DDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894085284 710958512 /nfs/dbraw/zinc/95/85/12/710958512.db2.gz SLPLTANJRNPPOH-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894085284 710958516 /nfs/dbraw/zinc/95/85/16/710958516.db2.gz SLPLTANJRNPPOH-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001183683358 743883368 /nfs/dbraw/zinc/88/33/68/743883368.db2.gz CAGQLGHSBNSKHX-VIFPVBQESA-N 1 2 320.361 1.042 20 10 DDCDLO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001183683358 743883373 /nfs/dbraw/zinc/88/33/73/743883373.db2.gz CAGQLGHSBNSKHX-VIFPVBQESA-N 1 2 320.361 1.042 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)cc1 ZINC001016385245 756980185 /nfs/dbraw/zinc/98/01/85/756980185.db2.gz RDLJKZYCGWZABJ-LBPRGKRZSA-N 1 2 307.329 1.623 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)cc1 ZINC001016385245 756980194 /nfs/dbraw/zinc/98/01/94/756980194.db2.gz RDLJKZYCGWZABJ-LBPRGKRZSA-N 1 2 307.329 1.623 20 10 DDCDLO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001274233525 852081431 /nfs/dbraw/zinc/08/14/31/852081431.db2.gz DAAMDHBXXBDHOM-INIZCTEOSA-N 1 2 324.808 1.726 20 10 DDCDLO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001274233525 852081440 /nfs/dbraw/zinc/08/14/40/852081440.db2.gz DAAMDHBXXBDHOM-INIZCTEOSA-N 1 2 324.808 1.726 20 10 DDCDLO CN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001274233833 852082116 /nfs/dbraw/zinc/08/21/16/852082116.db2.gz GOMXATCLRHMQSG-OAHLLOKOSA-N 1 2 310.781 1.479 20 10 DDCDLO CN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001274233833 852082127 /nfs/dbraw/zinc/08/21/27/852082127.db2.gz GOMXATCLRHMQSG-OAHLLOKOSA-N 1 2 310.781 1.479 20 10 DDCDLO CN(C)C(=O)CN1CCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001275276302 852945641 /nfs/dbraw/zinc/94/56/41/852945641.db2.gz IBLSMEARHZENQA-UHFFFAOYSA-N 1 2 323.824 1.394 20 10 DDCDLO COCCOC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138501188 860121093 /nfs/dbraw/zinc/12/10/93/860121093.db2.gz MDSCKPCUBRLRIE-UHFFFAOYSA-N 1 2 306.406 1.370 20 10 DDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660512 860669589 /nfs/dbraw/zinc/66/95/89/860669589.db2.gz UMIQOQGVQYNFEH-HIFRSBDPSA-N 1 2 312.360 1.567 20 10 DDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660512 860669592 /nfs/dbraw/zinc/66/95/92/860669592.db2.gz UMIQOQGVQYNFEH-HIFRSBDPSA-N 1 2 312.360 1.567 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142531096 861173402 /nfs/dbraw/zinc/17/34/02/861173402.db2.gz PLDSQLZFKPSKAL-CYBMUJFWSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142531096 861173411 /nfs/dbraw/zinc/17/34/11/861173411.db2.gz PLDSQLZFKPSKAL-CYBMUJFWSA-N 1 2 301.289 1.434 20 10 DDCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cnn(C)c21 ZINC001203876636 870810941 /nfs/dbraw/zinc/81/09/41/870810941.db2.gz GMNQYVUJLGSZJC-AWEZNQCLSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cnn(C)c21 ZINC001203876636 870810946 /nfs/dbraw/zinc/81/09/46/870810946.db2.gz GMNQYVUJLGSZJC-AWEZNQCLSA-N 1 2 317.389 1.967 20 10 DDCDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203880727 870815617 /nfs/dbraw/zinc/81/56/17/870815617.db2.gz XLBKWOCWRSXECK-GFCCVEGCSA-N 1 2 307.346 1.109 20 10 DDCDLO C[C@H](NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccccc1O ZINC001346995903 873966528 /nfs/dbraw/zinc/96/65/28/873966528.db2.gz DHHPKKFYWACAHD-KBPBESRZSA-N 1 2 320.437 1.388 20 10 DDCDLO CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231563762 885733487 /nfs/dbraw/zinc/73/34/87/885733487.db2.gz NQIFJPKSHPRNDZ-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231563762 885733494 /nfs/dbraw/zinc/73/34/94/885733494.db2.gz NQIFJPKSHPRNDZ-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231563762 885733497 /nfs/dbraw/zinc/73/34/97/885733497.db2.gz NQIFJPKSHPRNDZ-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231563762 885733505 /nfs/dbraw/zinc/73/35/05/885733505.db2.gz NQIFJPKSHPRNDZ-GOEBONIOSA-N 1 2 320.389 1.243 20 10 DDCDLO COc1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(O)cc1O ZINC001231634888 885772046 /nfs/dbraw/zinc/77/20/46/885772046.db2.gz BAXLBQUAFHKZLH-UHFFFAOYSA-N 1 2 306.362 1.161 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001231854098 885908771 /nfs/dbraw/zinc/90/87/71/885908771.db2.gz YXLCZWLYJQMSBF-CQSZACIVSA-N 1 2 305.378 1.398 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001231854098 885908778 /nfs/dbraw/zinc/90/87/78/885908778.db2.gz YXLCZWLYJQMSBF-CQSZACIVSA-N 1 2 305.378 1.398 20 10 DDCDLO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(O)C(F)(F)F ZINC001233010899 886721026 /nfs/dbraw/zinc/72/10/26/886721026.db2.gz WXPXQHAICPHSAL-ISVAXAHUSA-N 1 2 321.295 1.939 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(O)C(F)(F)F ZINC001233010899 886721032 /nfs/dbraw/zinc/72/10/32/886721032.db2.gz WXPXQHAICPHSAL-ISVAXAHUSA-N 1 2 321.295 1.939 20 10 DDCDLO CC1(C)CN(C2C[NH+](Cc3cc(O)c(O)cc3O)C2)CCO1 ZINC001233485761 887019992 /nfs/dbraw/zinc/01/99/92/887019992.db2.gz JVKSOKFKDGHHDM-UHFFFAOYSA-N 1 2 308.378 1.098 20 10 DDCDLO CC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001234474691 888010715 /nfs/dbraw/zinc/01/07/15/888010715.db2.gz WCMOAOKSUDEONZ-PXTQAZKISA-N 1 2 305.330 1.483 20 10 DDCDLO CC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001234474691 888010723 /nfs/dbraw/zinc/01/07/23/888010723.db2.gz WCMOAOKSUDEONZ-PXTQAZKISA-N 1 2 305.330 1.483 20 10 DDCDLO CNC(=O)C[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236763741 889340787 /nfs/dbraw/zinc/34/07/87/889340787.db2.gz BXLOWSWRXZTBKP-UHFFFAOYSA-N 1 2 303.156 1.038 20 10 DDCDLO CNC(=O)C[N@@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236763741 889340805 /nfs/dbraw/zinc/34/08/05/889340805.db2.gz BXLOWSWRXZTBKP-UHFFFAOYSA-N 1 2 303.156 1.038 20 10 DDCDLO COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1Cl ZINC001236802497 889363376 /nfs/dbraw/zinc/36/33/76/889363376.db2.gz QZKVVPSQICNEBJ-UHFFFAOYSA-N 1 2 313.785 1.687 20 10 DDCDLO CCOC(=O)CCCOc1ccc(C[NH+]2CC(O)C2)c(O)c1 ZINC001249725453 894112952 /nfs/dbraw/zinc/11/29/52/894112952.db2.gz OMSDWUAUMHSRHT-UHFFFAOYSA-N 1 2 309.362 1.291 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1cccc(OC)c1O)C2 ZINC000293769941 409177090 /nfs/dbraw/zinc/17/70/90/409177090.db2.gz YLHCAOPHSWSJPE-UHFFFAOYSA-N 1 2 318.377 1.197 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000293769941 409177091 /nfs/dbraw/zinc/17/70/91/409177091.db2.gz YLHCAOPHSWSJPE-UHFFFAOYSA-N 1 2 318.377 1.197 20 10 DDCDLO COc1ccc(N2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000280117390 409256337 /nfs/dbraw/zinc/25/63/37/409256337.db2.gz UYYLCKYMYSGHQV-CQSZACIVSA-N 1 2 324.446 1.252 20 10 DDCDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)[S@]1=O ZINC000289907223 409289562 /nfs/dbraw/zinc/28/95/62/409289562.db2.gz XASUILFOXJHDKQ-WOOQEGAKSA-N 1 2 311.403 1.852 20 10 DDCDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)[S@]1=O ZINC000289907223 409289565 /nfs/dbraw/zinc/28/95/65/409289565.db2.gz XASUILFOXJHDKQ-WOOQEGAKSA-N 1 2 311.403 1.852 20 10 DDCDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000294957634 409308006 /nfs/dbraw/zinc/30/80/06/409308006.db2.gz DPCBDOHXQCAIBA-AWEZNQCLSA-N 1 2 309.366 1.893 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@@H]3C2)cc1F ZINC000369693203 418737358 /nfs/dbraw/zinc/73/73/58/418737358.db2.gz QWDHAOGIWBDHFL-CYBMUJFWSA-N 1 2 306.385 1.443 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)cc1F ZINC000369693203 418737361 /nfs/dbraw/zinc/73/73/61/418737361.db2.gz QWDHAOGIWBDHFL-CYBMUJFWSA-N 1 2 306.385 1.443 20 10 DDCDLO CCN1CC[N@H+](Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O ZINC000190027881 521687753 /nfs/dbraw/zinc/68/77/53/521687753.db2.gz QQZXPJDSYNQOGD-UHFFFAOYSA-N 1 2 306.362 1.564 20 10 DDCDLO CCN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O ZINC000190027881 521687756 /nfs/dbraw/zinc/68/77/56/521687756.db2.gz QQZXPJDSYNQOGD-UHFFFAOYSA-N 1 2 306.362 1.564 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@H+](CCO)[C@H](C)C2)c1O ZINC000187730661 697549152 /nfs/dbraw/zinc/54/91/52/697549152.db2.gz ZRAXJADNZFRZLQ-LLVKDONJSA-N 1 2 310.369 1.232 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@@H+](CCO)[C@H](C)C2)c1O ZINC000187730661 697549154 /nfs/dbraw/zinc/54/91/54/697549154.db2.gz ZRAXJADNZFRZLQ-LLVKDONJSA-N 1 2 310.369 1.232 20 10 DDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000775713437 698025004 /nfs/dbraw/zinc/02/50/04/698025004.db2.gz NZBFEEHOWRDUCW-JTQLQIEISA-N 1 2 303.811 1.912 20 10 DDCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000775713437 698025011 /nfs/dbraw/zinc/02/50/11/698025011.db2.gz NZBFEEHOWRDUCW-JTQLQIEISA-N 1 2 303.811 1.912 20 10 DDCDLO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1O)N1CCCC1 ZINC000721892181 699316226 /nfs/dbraw/zinc/31/62/26/699316226.db2.gz RWBBDKRMBZKEMN-UHFFFAOYSA-N 1 2 318.826 1.561 20 10 DDCDLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000726257806 699357367 /nfs/dbraw/zinc/35/73/67/699357367.db2.gz SPTVTBZHMGPGMR-ZDUSSCGKSA-N 1 2 307.394 1.254 20 10 DDCDLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000726257806 699357371 /nfs/dbraw/zinc/35/73/71/699357371.db2.gz SPTVTBZHMGPGMR-ZDUSSCGKSA-N 1 2 307.394 1.254 20 10 DDCDLO COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000794837502 699832622 /nfs/dbraw/zinc/83/26/22/699832622.db2.gz SDHYPAXFVMVOQT-APPZFPTMSA-N 1 2 322.174 1.952 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H]3CCCNC3=O)CC2)cc1F ZINC000766913440 701070888 /nfs/dbraw/zinc/07/08/88/701070888.db2.gz MFBMOTLJCFHUQV-AWEZNQCLSA-N 1 2 307.369 1.235 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCCC3)C1)[C@H](O)CO2 ZINC000768451320 701178332 /nfs/dbraw/zinc/17/83/32/701178332.db2.gz MOTOJWXSJLFDBZ-XJKSGUPXSA-N 1 2 304.390 1.488 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CC[C@H](N3CCCC3)C1)[C@H](O)CO2 ZINC000768451320 701178334 /nfs/dbraw/zinc/17/83/34/701178334.db2.gz MOTOJWXSJLFDBZ-XJKSGUPXSA-N 1 2 304.390 1.488 20 10 DDCDLO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468395 701246360 /nfs/dbraw/zinc/24/63/60/701246360.db2.gz HHHBAQNXNUSEHM-JTQLQIEISA-N 1 2 303.811 1.912 20 10 DDCDLO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468395 701246361 /nfs/dbraw/zinc/24/63/61/701246361.db2.gz HHHBAQNXNUSEHM-JTQLQIEISA-N 1 2 303.811 1.912 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)cc1 ZINC000815119096 701804993 /nfs/dbraw/zinc/80/49/93/701804993.db2.gz YIDKTEZJLFNBRJ-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)cc1 ZINC000815119096 701804998 /nfs/dbraw/zinc/80/49/98/701804998.db2.gz YIDKTEZJLFNBRJ-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000843415433 702876696 /nfs/dbraw/zinc/87/66/96/702876696.db2.gz FQGUCXNZNYOYNR-UHFFFAOYSA-N 1 2 313.195 1.770 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844136923 702976648 /nfs/dbraw/zinc/97/66/48/702976648.db2.gz HJWVMMZFLGFZNJ-LBPRGKRZSA-N 1 2 301.346 1.216 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(OC)c1 ZINC000846747654 703326561 /nfs/dbraw/zinc/32/65/61/703326561.db2.gz PFJXIBPCUPXTOQ-UHFFFAOYSA-N 1 2 316.405 1.760 20 10 DDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000847695903 703454154 /nfs/dbraw/zinc/45/41/54/703454154.db2.gz IREVISUQXMCXHE-MNOVXSKESA-N 1 2 303.362 1.747 20 10 DDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000847695903 703454155 /nfs/dbraw/zinc/45/41/55/703454155.db2.gz IREVISUQXMCXHE-MNOVXSKESA-N 1 2 303.362 1.747 20 10 DDCDLO c1cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc2c1OCC2 ZINC000848562851 703563245 /nfs/dbraw/zinc/56/32/45/703563245.db2.gz NUVHRZZHMUGIOQ-AWEZNQCLSA-N 1 2 300.362 1.881 20 10 DDCDLO CC(C)c1[nH+]ccn1CCNC(=O)c1c(F)ccc(O)c1O ZINC000825600963 705700774 /nfs/dbraw/zinc/70/07/74/705700774.db2.gz WOGVNGZGNZGSGO-UHFFFAOYSA-N 1 2 307.325 1.987 20 10 DDCDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877432799 706105149 /nfs/dbraw/zinc/10/51/49/706105149.db2.gz HGQNZBNHAWTKHJ-CQSZACIVSA-N 1 2 317.433 1.310 20 10 DDCDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877432799 706105153 /nfs/dbraw/zinc/10/51/53/706105153.db2.gz HGQNZBNHAWTKHJ-CQSZACIVSA-N 1 2 317.433 1.310 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cncnc3)CC2)c(OC)c1 ZINC000877708282 706183904 /nfs/dbraw/zinc/18/39/04/706183904.db2.gz HJFPWBJTSUPNQB-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC000877715318 706187063 /nfs/dbraw/zinc/18/70/63/706187063.db2.gz VSHWSUAQFFVRBA-HNNXBMFYSA-N 1 2 324.764 1.939 20 10 DDCDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC000877715318 706187065 /nfs/dbraw/zinc/18/70/65/706187065.db2.gz VSHWSUAQFFVRBA-HNNXBMFYSA-N 1 2 324.764 1.939 20 10 DDCDLO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883186722 707950791 /nfs/dbraw/zinc/95/07/91/707950791.db2.gz XUAALIOIXOSSJP-ZDUSSCGKSA-N 1 2 313.348 1.100 20 10 DDCDLO CCNC(=O)C1C[NH+](Cc2cccc(Br)c2O)C1 ZINC000839139095 708029513 /nfs/dbraw/zinc/02/95/13/708029513.db2.gz TVOFMMLZUHRIEP-UHFFFAOYSA-N 1 2 313.195 1.723 20 10 DDCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000898214403 708575367 /nfs/dbraw/zinc/57/53/67/708575367.db2.gz BTYAQFMMCNXESN-NSHDSACASA-N 1 2 322.796 1.963 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(O)cc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000910945486 710126762 /nfs/dbraw/zinc/12/67/62/710126762.db2.gz AQDHGBWCVMPOMI-LSDHHAIUSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@H](C(=O)NCc1ccc(O)cc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC000910945486 710126764 /nfs/dbraw/zinc/12/67/64/710126764.db2.gz AQDHGBWCVMPOMI-LSDHHAIUSA-N 1 2 322.405 1.603 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1COCO1 ZINC000894890475 711310323 /nfs/dbraw/zinc/31/03/23/711310323.db2.gz SORGIWPUPWMCJY-VIFPVBQESA-N 1 2 306.131 1.756 20 10 DDCDLO O=C(CCn1cc[nH+]c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001176878191 778286525 /nfs/dbraw/zinc/28/65/25/778286525.db2.gz YBBRNMPGGIJRAJ-UHFFFAOYSA-N 1 2 301.346 1.659 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935706 846715213 /nfs/dbraw/zinc/71/52/13/846715213.db2.gz XNFKNDVPRDEDRH-ZIAGYGMSSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935706 846715219 /nfs/dbraw/zinc/71/52/19/846715219.db2.gz XNFKNDVPRDEDRH-ZIAGYGMSSA-N 1 2 303.761 1.750 20 10 DDCDLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140179824 860586858 /nfs/dbraw/zinc/58/68/58/860586858.db2.gz PWHBSHJCYWVOLM-AWEZNQCLSA-N 1 2 320.389 1.263 20 10 DDCDLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140179824 860586865 /nfs/dbraw/zinc/58/68/65/860586865.db2.gz PWHBSHJCYWVOLM-AWEZNQCLSA-N 1 2 320.389 1.263 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCc3ncn(C)c3C2)c(OC)c1 ZINC001141032978 860768548 /nfs/dbraw/zinc/76/85/48/860768548.db2.gz VWJJRSMKPHQPNH-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCc3ncn(C)c3C2)c(OC)c1 ZINC001141032978 860768556 /nfs/dbraw/zinc/76/85/56/860768556.db2.gz VWJJRSMKPHQPNH-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO COc1cnc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)nc1 ZINC001203883397 870815944 /nfs/dbraw/zinc/81/59/44/870815944.db2.gz JXWNZYRIFQLHEV-UHFFFAOYSA-N 1 2 316.361 1.219 20 10 DDCDLO COc1cc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc(O)c1O ZINC001204347524 871068070 /nfs/dbraw/zinc/06/80/70/871068070.db2.gz VTNGYJKODPMBOJ-SKDRFNHKSA-N 1 2 301.289 1.572 20 10 DDCDLO COc1cc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc(O)c1O ZINC001204347524 871068085 /nfs/dbraw/zinc/06/80/85/871068085.db2.gz VTNGYJKODPMBOJ-SKDRFNHKSA-N 1 2 301.289 1.572 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404204419 877008546 /nfs/dbraw/zinc/00/85/46/877008546.db2.gz MHORFTUCKSKCSB-CYBMUJFWSA-N 1 2 316.195 1.786 20 10 DDCDLO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(O)c1Cl ZINC001276806434 878382697 /nfs/dbraw/zinc/38/26/97/878382697.db2.gz NRHRERGYGRLZBK-TXEJJXNPSA-N 1 2 312.797 1.569 20 10 DDCDLO COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)c1Cl ZINC001276806434 878382710 /nfs/dbraw/zinc/38/27/10/878382710.db2.gz NRHRERGYGRLZBK-TXEJJXNPSA-N 1 2 312.797 1.569 20 10 DDCDLO COC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231848613 885904686 /nfs/dbraw/zinc/90/46/86/885904686.db2.gz IQOQKXWBYGNRTO-UHFFFAOYSA-N 1 2 307.394 1.645 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1Cl ZINC001236804406 889363971 /nfs/dbraw/zinc/36/39/71/889363971.db2.gz YUAWDSYGZHPJPM-MNOVXSKESA-N 1 2 301.770 1.229 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1Cl ZINC001236804406 889363982 /nfs/dbraw/zinc/36/39/82/889363982.db2.gz YUAWDSYGZHPJPM-MNOVXSKESA-N 1 2 301.770 1.229 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1c(O)ccc(F)c1Cl ZINC001237125375 889513192 /nfs/dbraw/zinc/51/31/92/889513192.db2.gz DDMAAPIBXYZWJU-NSHDSACASA-N 1 2 316.760 1.474 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1c(O)ccc(F)c1Cl ZINC001237125375 889513203 /nfs/dbraw/zinc/51/32/03/889513203.db2.gz DDMAAPIBXYZWJU-NSHDSACASA-N 1 2 316.760 1.474 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)[C@H](C(=O)OC)C1 ZINC000272570799 130042078 /nfs/dbraw/zinc/04/20/78/130042078.db2.gz VVIBSPGZKZIGSC-YPMHNXCESA-N 1 2 307.346 1.319 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@H](C(=O)OC)C1 ZINC000272570799 130042080 /nfs/dbraw/zinc/04/20/80/130042080.db2.gz VVIBSPGZKZIGSC-YPMHNXCESA-N 1 2 307.346 1.319 20 10 DDCDLO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273561403 130136739 /nfs/dbraw/zinc/13/67/39/130136739.db2.gz IHDDFYVVRHNQSY-XPTSAGLGSA-N 1 2 306.322 1.418 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(C[C@@H](C)O)C[C@H]2C)cc1OC ZINC000284462604 131082195 /nfs/dbraw/zinc/08/21/95/131082195.db2.gz VEGSUHJCIMNFJM-CHWSQXEVSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)cc1OC ZINC000284462604 131082196 /nfs/dbraw/zinc/08/21/96/131082196.db2.gz VEGSUHJCIMNFJM-CHWSQXEVSA-N 1 2 324.421 1.296 20 10 DDCDLO CNC(=O)CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000111238259 407402609 /nfs/dbraw/zinc/40/26/09/407402609.db2.gz HBMNPEZIEXYQAE-UHFFFAOYSA-N 1 2 314.769 1.157 20 10 DDCDLO CNC(=O)CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000111238259 407402610 /nfs/dbraw/zinc/40/26/10/407402610.db2.gz HBMNPEZIEXYQAE-UHFFFAOYSA-N 1 2 314.769 1.157 20 10 DDCDLO CC(C)[C@@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCOCC1 ZINC000186847896 407785407 /nfs/dbraw/zinc/78/54/07/407785407.db2.gz YPSHDSHIVCVMIY-CYBMUJFWSA-N 1 2 308.378 1.184 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)c1O ZINC000179711906 407825874 /nfs/dbraw/zinc/82/58/74/407825874.db2.gz LQCOACOSTAJWEL-AWEZNQCLSA-N 1 2 308.378 1.128 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)c1O ZINC000179711906 407825880 /nfs/dbraw/zinc/82/58/80/407825880.db2.gz LQCOACOSTAJWEL-AWEZNQCLSA-N 1 2 308.378 1.128 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1F ZINC000187569480 407870998 /nfs/dbraw/zinc/87/09/98/407870998.db2.gz XHHPYFQQMCGAGF-CZUORRHYSA-N 1 2 324.396 1.780 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1F ZINC000187569480 407871003 /nfs/dbraw/zinc/87/10/03/407871003.db2.gz XHHPYFQQMCGAGF-CZUORRHYSA-N 1 2 324.396 1.780 20 10 DDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352125879 410498046 /nfs/dbraw/zinc/49/80/46/410498046.db2.gz NJAWUOFNZKJRMU-KRWDZBQOSA-N 1 2 315.417 1.824 20 10 DDCDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352125879 410498052 /nfs/dbraw/zinc/49/80/52/410498052.db2.gz NJAWUOFNZKJRMU-KRWDZBQOSA-N 1 2 315.417 1.824 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366126331 418431102 /nfs/dbraw/zinc/43/11/02/418431102.db2.gz HMMLBDDSIAGQKH-LBPRGKRZSA-N 1 2 300.362 1.814 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366126331 418431105 /nfs/dbraw/zinc/43/11/05/418431105.db2.gz HMMLBDDSIAGQKH-LBPRGKRZSA-N 1 2 300.362 1.814 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373810226 418462185 /nfs/dbraw/zinc/46/21/85/418462185.db2.gz BDYBBHAYZDRDRG-MRVPVSSYSA-N 1 2 322.789 1.308 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373810226 418462189 /nfs/dbraw/zinc/46/21/89/418462189.db2.gz BDYBBHAYZDRDRG-MRVPVSSYSA-N 1 2 322.789 1.308 20 10 DDCDLO COC(=O)C[N@H+](CCOCCO)Cc1cc(Cl)ccc1O ZINC000265853841 523162712 /nfs/dbraw/zinc/16/27/12/523162712.db2.gz ZGABQRUEOBZVTH-UHFFFAOYSA-N 1 2 317.769 1.030 20 10 DDCDLO COC(=O)C[N@@H+](CCOCCO)Cc1cc(Cl)ccc1O ZINC000265853841 523162719 /nfs/dbraw/zinc/16/27/19/523162719.db2.gz ZGABQRUEOBZVTH-UHFFFAOYSA-N 1 2 317.769 1.030 20 10 DDCDLO COCC[N@H+](CC(=O)N(C)C)Cc1c(O)cccc1Cl ZINC000130414599 523643091 /nfs/dbraw/zinc/64/30/91/523643091.db2.gz RZXGOJNYLQARKK-UHFFFAOYSA-N 1 2 300.786 1.582 20 10 DDCDLO COCC[N@@H+](CC(=O)N(C)C)Cc1c(O)cccc1Cl ZINC000130414599 523643094 /nfs/dbraw/zinc/64/30/94/523643094.db2.gz RZXGOJNYLQARKK-UHFFFAOYSA-N 1 2 300.786 1.582 20 10 DDCDLO CON(C)C(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790573 699277126 /nfs/dbraw/zinc/27/71/26/699277126.db2.gz UQIBGGIGGBFPDS-UHFFFAOYSA-N 1 2 321.146 1.403 20 10 DDCDLO OCCOCCC[NH2+]Cc1cccc(Br)c1O ZINC000227331979 697768868 /nfs/dbraw/zinc/76/88/68/697768868.db2.gz ZYKGJHYJONCBCJ-UHFFFAOYSA-N 1 2 304.184 1.643 20 10 DDCDLO COCC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775656453 698019955 /nfs/dbraw/zinc/01/99/55/698019955.db2.gz UWMUNYMZKLACPE-UHFFFAOYSA-N 1 2 312.797 1.773 20 10 DDCDLO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000777220820 698174603 /nfs/dbraw/zinc/17/46/03/698174603.db2.gz UXEQEWDAPRMJOB-ZIAGYGMSSA-N 1 2 315.797 1.956 20 10 DDCDLO CN1C(=O)C(=Cc2cc(-n3cc[nH+]c3)cs2)C(=O)N(C)C1=O ZINC000783685596 698867114 /nfs/dbraw/zinc/86/71/14/698867114.db2.gz PJDVVPIIIMYLJE-UHFFFAOYSA-N 1 2 316.342 1.368 20 10 DDCDLO CNC(=O)CC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715726914 699276818 /nfs/dbraw/zinc/27/68/18/699276818.db2.gz VXZLNBBQHGFAME-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO CNC(=O)CC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715726914 699276820 /nfs/dbraw/zinc/27/68/20/699276820.db2.gz VXZLNBBQHGFAME-UHFFFAOYSA-N 1 2 319.174 1.862 20 10 DDCDLO OC[C@@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802660542 700416606 /nfs/dbraw/zinc/41/66/06/700416606.db2.gz OTHUVDLNZXVTCZ-MRXNPFEDSA-N 1 2 312.360 1.569 20 10 DDCDLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802660542 700416609 /nfs/dbraw/zinc/41/66/09/700416609.db2.gz OTHUVDLNZXVTCZ-MRXNPFEDSA-N 1 2 312.360 1.569 20 10 DDCDLO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000762268255 700887436 /nfs/dbraw/zinc/88/74/36/700887436.db2.gz CGNBMEPKERIMKU-LBPRGKRZSA-N 1 2 301.346 1.216 20 10 DDCDLO O=C(/C=C/c1ccc(O)c(O)c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767576858 701117457 /nfs/dbraw/zinc/11/74/57/701117457.db2.gz QQULUIILAVIUTM-XJRSNRPQSA-N 1 2 319.357 1.517 20 10 DDCDLO O=C(/C=C/c1ccc(O)c(O)c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767576858 701117459 /nfs/dbraw/zinc/11/74/59/701117459.db2.gz QQULUIILAVIUTM-XJRSNRPQSA-N 1 2 319.357 1.517 20 10 DDCDLO CCOC(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768437718 701176895 /nfs/dbraw/zinc/17/68/95/701176895.db2.gz FDTQZKVUUPMQGP-CQSZACIVSA-N 1 2 322.361 1.092 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768444658 701177238 /nfs/dbraw/zinc/17/72/38/701177238.db2.gz BGVZZJBKSCRNEO-HNNXBMFYSA-N 1 2 309.362 1.473 20 10 DDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768444658 701177240 /nfs/dbraw/zinc/17/72/40/701177240.db2.gz BGVZZJBKSCRNEO-HNNXBMFYSA-N 1 2 309.362 1.473 20 10 DDCDLO COc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1O ZINC000845833650 703208115 /nfs/dbraw/zinc/20/81/15/703208115.db2.gz MGLVPAMXJAZCPE-UHFFFAOYSA-N 1 2 315.373 1.793 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847695905 703454161 /nfs/dbraw/zinc/45/41/61/703454161.db2.gz IREVISUQXMCXHE-WDEREUQCSA-N 1 2 303.362 1.747 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847695905 703454162 /nfs/dbraw/zinc/45/41/62/703454162.db2.gz IREVISUQXMCXHE-WDEREUQCSA-N 1 2 303.362 1.747 20 10 DDCDLO COc1ccc(N(C)CCN(C)c2nc[nH+]c(N)c2OC)cc1 ZINC000848734505 703581756 /nfs/dbraw/zinc/58/17/56/703581756.db2.gz OVADUCSHZWIHNB-UHFFFAOYSA-N 1 2 317.393 1.649 20 10 DDCDLO COc1ccc(N(C)CCN(C)c2[nH+]cnc(N)c2OC)cc1 ZINC000848734505 703581758 /nfs/dbraw/zinc/58/17/58/703581758.db2.gz OVADUCSHZWIHNB-UHFFFAOYSA-N 1 2 317.393 1.649 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1O ZINC000875193833 705311167 /nfs/dbraw/zinc/31/11/67/705311167.db2.gz GPEPPTJJJQBERL-CHWSQXEVSA-N 1 2 307.394 1.473 20 10 DDCDLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccccc1O ZINC000875193833 705311169 /nfs/dbraw/zinc/31/11/69/705311169.db2.gz GPEPPTJJJQBERL-CHWSQXEVSA-N 1 2 307.394 1.473 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862534375 705728050 /nfs/dbraw/zinc/72/80/50/705728050.db2.gz AKTDINIGLZFJHZ-NSHDSACASA-N 1 2 314.769 1.130 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862534375 705728053 /nfs/dbraw/zinc/72/80/53/705728053.db2.gz AKTDINIGLZFJHZ-NSHDSACASA-N 1 2 314.769 1.130 20 10 DDCDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Br)cc1O ZINC000826142550 705777002 /nfs/dbraw/zinc/77/70/02/705777002.db2.gz FGHPTEGDFQSPCE-PSVSLLHZSA-N 1 2 316.220 1.860 20 10 DDCDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Br)cc1O ZINC000826142550 705777006 /nfs/dbraw/zinc/77/70/06/705777006.db2.gz FGHPTEGDFQSPCE-PSVSLLHZSA-N 1 2 316.220 1.860 20 10 DDCDLO Oc1c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc(F)c1F ZINC000876767150 705866286 /nfs/dbraw/zinc/86/62/86/705866286.db2.gz CGSNXIBZLFRSFF-GFCCVEGCSA-N 1 2 312.360 1.825 20 10 DDCDLO Oc1c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)ccc(F)c1F ZINC000876767150 705866289 /nfs/dbraw/zinc/86/62/89/705866289.db2.gz CGSNXIBZLFRSFF-GFCCVEGCSA-N 1 2 312.360 1.825 20 10 DDCDLO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccc(F)c(F)c1O ZINC000876981956 705948299 /nfs/dbraw/zinc/94/82/99/705948299.db2.gz FXFSBNNYVKIGRS-UHFFFAOYSA-N 1 2 322.377 1.478 20 10 DDCDLO Oc1c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc(F)c1F ZINC000877641400 706167142 /nfs/dbraw/zinc/16/71/42/706167142.db2.gz YYWSIBFVMAMIAU-ZDUSSCGKSA-N 1 2 312.360 1.701 20 10 DDCDLO Oc1c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc(F)c1F ZINC000877641400 706167143 /nfs/dbraw/zinc/16/71/43/706167143.db2.gz YYWSIBFVMAMIAU-ZDUSSCGKSA-N 1 2 312.360 1.701 20 10 DDCDLO CC[C@@H](CO)Nc1cc(NCc2ccc(OC)cc2O)[nH+]cn1 ZINC000893639413 710759493 /nfs/dbraw/zinc/75/94/93/710759493.db2.gz YVLKDOATRJLCRA-LBPRGKRZSA-N 1 2 318.377 1.986 20 10 DDCDLO CC[C@@H](CO)Nc1cc(NCc2ccc(OC)cc2O)nc[nH+]1 ZINC000893639413 710759496 /nfs/dbraw/zinc/75/94/96/710759496.db2.gz YVLKDOATRJLCRA-LBPRGKRZSA-N 1 2 318.377 1.986 20 10 DDCDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894070034 710950741 /nfs/dbraw/zinc/95/07/41/710950741.db2.gz MLKCJDUSTZKLEH-UHFFFAOYSA-N 1 2 321.327 1.805 20 10 DDCDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894070034 710950744 /nfs/dbraw/zinc/95/07/44/710950744.db2.gz MLKCJDUSTZKLEH-UHFFFAOYSA-N 1 2 321.327 1.805 20 10 DDCDLO COc1ccc(C[N@@H+]2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159126 710991830 /nfs/dbraw/zinc/99/18/30/710991830.db2.gz SDIXNNHHRYTQSK-OLZOCXBDSA-N 1 2 324.421 1.296 20 10 DDCDLO COc1ccc(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159126 710991832 /nfs/dbraw/zinc/99/18/32/710991832.db2.gz SDIXNNHHRYTQSK-OLZOCXBDSA-N 1 2 324.421 1.296 20 10 DDCDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894875108 711304800 /nfs/dbraw/zinc/30/48/00/711304800.db2.gz UWYLUQZYQGDYLK-LLVKDONJSA-N 1 2 300.305 1.943 20 10 DDCDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894875108 711304802 /nfs/dbraw/zinc/30/48/02/711304802.db2.gz UWYLUQZYQGDYLK-LLVKDONJSA-N 1 2 300.305 1.943 20 10 DDCDLO CCc1cccc(C[NH+]2CCN(Cc3n[nH]c(C)n3)CC2)c1O ZINC000895262200 711470087 /nfs/dbraw/zinc/47/00/87/711470087.db2.gz MAZVDROYRJTFFD-UHFFFAOYSA-N 1 2 315.421 1.699 20 10 DDCDLO O=S1(=O)CC(C2C[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000895428402 711510570 /nfs/dbraw/zinc/51/05/70/711510570.db2.gz RKMXVXYIHJHOEM-UHFFFAOYSA-N 1 2 301.795 1.522 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895644861 711567808 /nfs/dbraw/zinc/56/78/08/711567808.db2.gz GUOUWASGTOPZFF-UFBFGSQYSA-N 1 2 302.143 1.860 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895644861 711567811 /nfs/dbraw/zinc/56/78/11/711567811.db2.gz GUOUWASGTOPZFF-UFBFGSQYSA-N 1 2 302.143 1.860 20 10 DDCDLO COc1cccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)c1O ZINC000896118392 711678697 /nfs/dbraw/zinc/67/86/97/711678697.db2.gz WYJSYVWGUJKTGH-UHFFFAOYSA-N 1 2 303.362 1.957 20 10 DDCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1cccc(Cl)c1O ZINC000908326575 712742637 /nfs/dbraw/zinc/74/26/37/712742637.db2.gz CHZYBQACTXDWFP-UHFFFAOYSA-N 1 2 315.782 1.362 20 10 DDCDLO C[C@H]([NH2+][C@H]1CNOC1)c1cc(Br)cc(F)c1O ZINC000925869550 714954501 /nfs/dbraw/zinc/95/45/01/714954501.db2.gz MTRUPFUJLMKGBE-XPUUQOCRSA-N 1 2 305.147 1.848 20 10 DDCDLO COc1ccc(N2CCN(c3cc(N)nc[nH+]3)CC2)c(OC)c1 ZINC001120953823 782254912 /nfs/dbraw/zinc/25/49/12/782254912.db2.gz BTSNELWACQDMIJ-UHFFFAOYSA-N 1 2 315.377 1.403 20 10 DDCDLO CCN(C)c1cc(NCCc2cc(O)c(O)cc2O)[nH+]cn1 ZINC001168007107 740546957 /nfs/dbraw/zinc/54/69/57/740546957.db2.gz ZTNNBXTVHDOYTA-UHFFFAOYSA-N 1 2 304.350 1.704 20 10 DDCDLO CCN(C)c1cc(NCCc2cc(O)c(O)cc2O)nc[nH+]1 ZINC001168007107 740546960 /nfs/dbraw/zinc/54/69/60/740546960.db2.gz ZTNNBXTVHDOYTA-UHFFFAOYSA-N 1 2 304.350 1.704 20 10 DDCDLO COCC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044352991 765502312 /nfs/dbraw/zinc/50/23/12/765502312.db2.gz ZTBGYPVTLAITMS-UHFFFAOYSA-N 1 2 319.365 1.252 20 10 DDCDLO O=C(CN1C(=O)CSC1=S)NCc1c[nH+]cn1C1CCC1 ZINC001144853356 772645730 /nfs/dbraw/zinc/64/57/30/772645730.db2.gz XUZBKZNKQMOBHG-UHFFFAOYSA-N 1 2 324.431 1.085 20 10 DDCDLO CC[C@H](C(=O)NCc1cc(O)ccc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC001176755741 778244001 /nfs/dbraw/zinc/24/40/01/778244001.db2.gz UUKXVFJGYPZNCC-HUUCEWRRSA-N 1 2 322.405 1.603 20 10 DDCDLO CC[C@H](C(=O)NCc1cc(O)ccc1O)[N@H+]1CCO[C@H](CC)C1 ZINC001176755741 778244005 /nfs/dbraw/zinc/24/40/05/778244005.db2.gz UUKXVFJGYPZNCC-HUUCEWRRSA-N 1 2 322.405 1.603 20 10 DDCDLO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1c(O)cccc1F ZINC001119376110 781428589 /nfs/dbraw/zinc/42/85/89/781428589.db2.gz MBKUWKFPRAORNS-SECBINFHSA-N 1 2 319.336 1.950 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237125422 846662691 /nfs/dbraw/zinc/66/26/91/846662691.db2.gz ZHJUHPCZBKTAFI-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237125422 846662694 /nfs/dbraw/zinc/66/26/94/846662694.db2.gz ZHJUHPCZBKTAFI-JSGCOSHPSA-N 1 2 303.761 1.750 20 10 DDCDLO CN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001274233831 852080596 /nfs/dbraw/zinc/08/05/96/852080596.db2.gz GOMXATCLRHMQSG-HNNXBMFYSA-N 1 2 310.781 1.479 20 10 DDCDLO CN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001274233831 852080604 /nfs/dbraw/zinc/08/06/04/852080604.db2.gz GOMXATCLRHMQSG-HNNXBMFYSA-N 1 2 310.781 1.479 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](F)(CO)C1 ZINC001139126286 860295274 /nfs/dbraw/zinc/29/52/74/860295274.db2.gz DOUAXVHKMRSJJS-INIZCTEOSA-N 1 2 307.321 1.713 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](F)(CO)C1 ZINC001139126286 860295283 /nfs/dbraw/zinc/29/52/83/860295283.db2.gz DOUAXVHKMRSJJS-INIZCTEOSA-N 1 2 307.321 1.713 20 10 DDCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140179827 860587365 /nfs/dbraw/zinc/58/73/65/860587365.db2.gz PWHBSHJCYWVOLM-CQSZACIVSA-N 1 2 320.389 1.263 20 10 DDCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140179827 860587370 /nfs/dbraw/zinc/58/73/70/860587370.db2.gz PWHBSHJCYWVOLM-CQSZACIVSA-N 1 2 320.389 1.263 20 10 DDCDLO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351788640 876432876 /nfs/dbraw/zinc/43/28/76/876432876.db2.gz YMRDPQMNDYZKPP-HIFRSBDPSA-N 1 2 320.437 1.168 20 10 DDCDLO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CN(C)CC[N@H+]1C ZINC001351788640 876432880 /nfs/dbraw/zinc/43/28/80/876432880.db2.gz YMRDPQMNDYZKPP-HIFRSBDPSA-N 1 2 320.437 1.168 20 10 DDCDLO COC(=O)c1c(C[N@@H+]2CC[C@@](F)(CO)C2)c2ccccc2n1C ZINC001232401683 886334295 /nfs/dbraw/zinc/33/42/95/886334295.db2.gz BUCPHWNMOYPFDT-KRWDZBQOSA-N 1 2 320.364 1.871 20 10 DDCDLO COC(=O)c1c(C[N@H+]2CC[C@@](F)(CO)C2)c2ccccc2n1C ZINC001232401683 886334313 /nfs/dbraw/zinc/33/43/13/886334313.db2.gz BUCPHWNMOYPFDT-KRWDZBQOSA-N 1 2 320.364 1.871 20 10 DDCDLO COC(=O)c1c(C[N@H+](C)CC(=O)N(C)C)c2ccccc2n1C ZINC001232404933 886338057 /nfs/dbraw/zinc/33/80/57/886338057.db2.gz DNZHJLSLWKDHMW-UHFFFAOYSA-N 1 2 317.389 1.485 20 10 DDCDLO COC(=O)c1c(C[N@@H+](C)CC(=O)N(C)C)c2ccccc2n1C ZINC001232404933 886338071 /nfs/dbraw/zinc/33/80/71/886338071.db2.gz DNZHJLSLWKDHMW-UHFFFAOYSA-N 1 2 317.389 1.485 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232836951 886624537 /nfs/dbraw/zinc/62/45/37/886624537.db2.gz XKMMDDQGIKZTQG-AWEZNQCLSA-N 1 2 320.389 1.412 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232836951 886624545 /nfs/dbraw/zinc/62/45/45/886624545.db2.gz XKMMDDQGIKZTQG-AWEZNQCLSA-N 1 2 320.389 1.412 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC1=O ZINC001232836951 886624553 /nfs/dbraw/zinc/62/45/53/886624553.db2.gz XKMMDDQGIKZTQG-AWEZNQCLSA-N 1 2 320.389 1.412 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCC1=O ZINC001232836951 886624559 /nfs/dbraw/zinc/62/45/59/886624559.db2.gz XKMMDDQGIKZTQG-AWEZNQCLSA-N 1 2 320.389 1.412 20 10 DDCDLO Oc1c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ccc(F)c1F ZINC001233077643 886773595 /nfs/dbraw/zinc/77/35/95/886773595.db2.gz RUFIVNSUKMVOPQ-OKILXGFUSA-N 1 2 324.371 1.965 20 10 DDCDLO Oc1c(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ccc(F)c1F ZINC001233077643 886773609 /nfs/dbraw/zinc/77/36/09/886773609.db2.gz RUFIVNSUKMVOPQ-OKILXGFUSA-N 1 2 324.371 1.965 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC001236749039 889328481 /nfs/dbraw/zinc/32/84/81/889328481.db2.gz FCJPYUUCZJRUKN-PXAZEXFGSA-N 1 2 321.373 1.937 20 10 DDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(OC)c(OC)cc1O ZINC001236749039 889328495 /nfs/dbraw/zinc/32/84/95/889328495.db2.gz FCJPYUUCZJRUKN-PXAZEXFGSA-N 1 2 321.373 1.937 20 10 DDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237055615 889483567 /nfs/dbraw/zinc/48/35/67/889483567.db2.gz HHAKUHQOZWEBEA-VIFPVBQESA-N 1 2 318.295 1.654 20 10 DDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237055615 889483570 /nfs/dbraw/zinc/48/35/70/889483570.db2.gz HHAKUHQOZWEBEA-VIFPVBQESA-N 1 2 318.295 1.654 20 10 DDCDLO COC(=O)Cc1ccc(C[N@H+](C)Cc2ncccn2)c(O)c1 ZINC001249171789 893851520 /nfs/dbraw/zinc/85/15/20/893851520.db2.gz FUYBWFOHGZMRSR-UHFFFAOYSA-N 1 2 301.346 1.530 20 10 DDCDLO COC(=O)Cc1ccc(C[N@@H+](C)Cc2ncccn2)c(O)c1 ZINC001249171789 893851536 /nfs/dbraw/zinc/85/15/36/893851536.db2.gz FUYBWFOHGZMRSR-UHFFFAOYSA-N 1 2 301.346 1.530 20 10 DDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249251980 893897232 /nfs/dbraw/zinc/89/72/32/893897232.db2.gz DADCVZNMVPWIQD-LLVKDONJSA-N 1 2 302.374 1.897 20 10 DDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249251980 893897243 /nfs/dbraw/zinc/89/72/43/893897243.db2.gz DADCVZNMVPWIQD-LLVKDONJSA-N 1 2 302.374 1.897 20 10 DDCDLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273469377 130125143 /nfs/dbraw/zinc/12/51/43/130125143.db2.gz JIOOQAUOEUBQGM-ZANVPECISA-N 1 2 306.322 1.418 20 10 DDCDLO C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604601 130143301 /nfs/dbraw/zinc/14/33/01/130143301.db2.gz SUZDQYQEPHWLAD-DGCLKSJQSA-N 1 2 308.382 1.197 20 10 DDCDLO C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604601 130143304 /nfs/dbraw/zinc/14/33/04/130143304.db2.gz SUZDQYQEPHWLAD-DGCLKSJQSA-N 1 2 308.382 1.197 20 10 DDCDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(O)c3O)CC2)S1 ZINC000274997530 130280249 /nfs/dbraw/zinc/28/02/49/130280249.db2.gz TUURZBVIGMWVHI-SNVBAGLBSA-N 1 2 321.402 1.347 20 10 DDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275747788 130377835 /nfs/dbraw/zinc/37/78/35/130377835.db2.gz RKVMHYOLHJPYDK-VHSXEESVSA-N 1 2 304.350 1.719 20 10 DDCDLO C[C@@H](c1nncn1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000286715036 131247191 /nfs/dbraw/zinc/24/71/91/131247191.db2.gz CZIPMGOAHRPWQQ-AWEZNQCLSA-N 1 2 315.421 1.845 20 10 DDCDLO C[C@@H](c1nncn1C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000286715036 131247193 /nfs/dbraw/zinc/24/71/93/131247193.db2.gz CZIPMGOAHRPWQQ-AWEZNQCLSA-N 1 2 315.421 1.845 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c(O)c1O ZINC000179532437 407802332 /nfs/dbraw/zinc/80/23/32/407802332.db2.gz STBRVKGBHFDNLK-UHFFFAOYSA-N 1 2 322.405 1.589 20 10 DDCDLO Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c(O)c1O ZINC000181851014 408047240 /nfs/dbraw/zinc/04/72/40/408047240.db2.gz RVGHYURHJSLKIO-UHFFFAOYSA-N 1 2 324.340 1.917 20 10 DDCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1nc(N)nc(N)n1 ZINC000269514899 408338296 /nfs/dbraw/zinc/33/82/96/408338296.db2.gz PCHXJVRWDJGOCR-UHFFFAOYSA-N 1 2 315.425 1.513 20 10 DDCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nc(N)nc(N)n1 ZINC000269514899 408338299 /nfs/dbraw/zinc/33/82/99/408338299.db2.gz PCHXJVRWDJGOCR-UHFFFAOYSA-N 1 2 315.425 1.513 20 10 DDCDLO Cc1[nH+]ccn1CCCN(C)C(=O)c1c(F)ccc(O)c1O ZINC000276505653 408871170 /nfs/dbraw/zinc/87/11/70/408871170.db2.gz CWNWSGZJRRZVDX-UHFFFAOYSA-N 1 2 307.325 1.904 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000278229761 409078126 /nfs/dbraw/zinc/07/81/26/409078126.db2.gz MRNYWHXDMBAZRE-UHFFFAOYSA-N 1 2 323.349 1.363 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000278229761 409078127 /nfs/dbraw/zinc/07/81/27/409078127.db2.gz MRNYWHXDMBAZRE-UHFFFAOYSA-N 1 2 323.349 1.363 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000370365086 418742994 /nfs/dbraw/zinc/74/29/94/418742994.db2.gz DBEJLZOLHJCBOJ-UKRRQHHQSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000370365086 418742996 /nfs/dbraw/zinc/74/29/96/418742996.db2.gz DBEJLZOLHJCBOJ-UKRRQHHQSA-N 1 2 323.389 1.943 20 10 DDCDLO Cc1ccc(O)c(C[NH+]2CC(S(=O)(=O)NC3CCCC3)C2)c1 ZINC000378615983 418725357 /nfs/dbraw/zinc/72/53/57/418725357.db2.gz NHHRKLWZAJTIKJ-UHFFFAOYSA-N 1 2 324.446 1.747 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365337106 418853106 /nfs/dbraw/zinc/85/31/06/418853106.db2.gz OKDHOKHMBONRAF-ZDUSSCGKSA-N 1 2 308.334 1.920 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365337106 418853108 /nfs/dbraw/zinc/85/31/08/418853108.db2.gz OKDHOKHMBONRAF-ZDUSSCGKSA-N 1 2 308.334 1.920 20 10 DDCDLO C[C@@H]1C[N@H+](CCOC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000800188210 700199744 /nfs/dbraw/zinc/19/97/44/700199744.db2.gz WGGVWHOUZXHEMY-OGOUPESXSA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@@H]1C[N@@H+](CCOC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000800188210 700199745 /nfs/dbraw/zinc/19/97/45/700199745.db2.gz WGGVWHOUZXHEMY-OGOUPESXSA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@@H]1C[N@H+](CCOC(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000800188209 700199750 /nfs/dbraw/zinc/19/97/50/700199750.db2.gz WGGVWHOUZXHEMY-KTLBGCOUSA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@@H]1C[N@@H+](CCOC(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000800188209 700199752 /nfs/dbraw/zinc/19/97/52/700199752.db2.gz WGGVWHOUZXHEMY-KTLBGCOUSA-N 1 2 307.346 1.375 20 10 DDCDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000783733552 698871605 /nfs/dbraw/zinc/87/16/05/698871605.db2.gz MELVQKNOFSMZRN-CQSZACIVSA-N 1 2 303.406 1.186 20 10 DDCDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000783733552 698871609 /nfs/dbraw/zinc/87/16/09/698871609.db2.gz MELVQKNOFSMZRN-CQSZACIVSA-N 1 2 303.406 1.186 20 10 DDCDLO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743434 699276488 /nfs/dbraw/zinc/27/64/88/699276488.db2.gz BERNNXYEEATPDA-ZETCQYMHSA-N 1 2 319.174 1.908 20 10 DDCDLO CC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000801522640 700316818 /nfs/dbraw/zinc/31/68/18/700316818.db2.gz XWAAHGPVLDTNCU-CYBMUJFWSA-N 1 2 312.435 1.803 20 10 DDCDLO CC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000801522640 700316820 /nfs/dbraw/zinc/31/68/20/700316820.db2.gz XWAAHGPVLDTNCU-CYBMUJFWSA-N 1 2 312.435 1.803 20 10 DDCDLO COc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c(O)cc1C ZINC000768462541 701179914 /nfs/dbraw/zinc/17/99/14/701179914.db2.gz MTSUWKGZWIXDOS-UHFFFAOYSA-N 1 2 313.419 1.718 20 10 DDCDLO COc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c(O)cc1C ZINC000768462541 701179917 /nfs/dbraw/zinc/17/99/17/701179917.db2.gz MTSUWKGZWIXDOS-UHFFFAOYSA-N 1 2 313.419 1.718 20 10 DDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467794 701246230 /nfs/dbraw/zinc/24/62/30/701246230.db2.gz YOAAGUOAYZZOTF-GTQRCTGISA-N 1 2 322.474 1.865 20 10 DDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467794 701246231 /nfs/dbraw/zinc/24/62/31/701246231.db2.gz YOAAGUOAYZZOTF-GTQRCTGISA-N 1 2 322.474 1.865 20 10 DDCDLO C[N@@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839962 701488117 /nfs/dbraw/zinc/48/81/17/701488117.db2.gz NYPQJPASGIBPCO-LLVKDONJSA-N 1 2 319.188 1.646 20 10 DDCDLO C[N@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839962 701488118 /nfs/dbraw/zinc/48/81/18/701488118.db2.gz NYPQJPASGIBPCO-LLVKDONJSA-N 1 2 319.188 1.646 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000812047357 702103142 /nfs/dbraw/zinc/10/31/42/702103142.db2.gz HAFWWNZMBUQSDC-UHFFFAOYSA-N 1 2 313.405 1.983 20 10 DDCDLO CCN1CC[C@@H]([NH+]2CCN(c3ccc(OC)c(F)c3)CC2)C1=O ZINC000851806944 703861168 /nfs/dbraw/zinc/86/11/68/703861168.db2.gz BRGWHBBZCIBRII-OAHLLOKOSA-N 1 2 321.396 1.577 20 10 DDCDLO C[C@]1(C(F)F)C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853633726 704290362 /nfs/dbraw/zinc/29/03/62/704290362.db2.gz XOBHISMMNYXUME-CQSZACIVSA-N 1 2 301.289 1.977 20 10 DDCDLO C[C@]1(C(F)F)C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853633726 704290365 /nfs/dbraw/zinc/29/03/65/704290365.db2.gz XOBHISMMNYXUME-CQSZACIVSA-N 1 2 301.289 1.977 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@@H+](CCO)C[C@@H]2C)c1O ZINC000832783149 706983444 /nfs/dbraw/zinc/98/34/44/706983444.db2.gz NZGNEWMLDBILBW-NSHDSACASA-N 1 2 310.369 1.232 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[N@H+](CCO)C[C@@H]2C)c1O ZINC000832783149 706983447 /nfs/dbraw/zinc/98/34/47/706983447.db2.gz NZGNEWMLDBILBW-NSHDSACASA-N 1 2 310.369 1.232 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H](C)c2nccn2C)ccc1[N+](=O)[O-] ZINC000827722514 706057094 /nfs/dbraw/zinc/05/70/94/706057094.db2.gz LHJILKCAGVKVGZ-SECBINFHSA-N 1 2 306.322 1.893 20 10 DDCDLO CCC[N@H+](Cc1ccc(F)c(F)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000877503129 706125467 /nfs/dbraw/zinc/12/54/67/706125467.db2.gz BYPSSAUZJMNQRS-LLVKDONJSA-N 1 2 312.316 1.640 20 10 DDCDLO CCC[N@@H+](Cc1ccc(F)c(F)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000877503129 706125469 /nfs/dbraw/zinc/12/54/69/706125469.db2.gz BYPSSAUZJMNQRS-LLVKDONJSA-N 1 2 312.316 1.640 20 10 DDCDLO COCCNC(=O)C1([NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000877586449 706150340 /nfs/dbraw/zinc/15/03/40/706150340.db2.gz FGIVIBQRQMPQRL-UHFFFAOYSA-N 1 2 300.305 1.055 20 10 DDCDLO Cc1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000865469632 706439749 /nfs/dbraw/zinc/43/97/49/706439749.db2.gz QIJGOZUZHVUPDN-NSHDSACASA-N 1 2 314.393 1.772 20 10 DDCDLO Cc1nc(N)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000865469632 706439751 /nfs/dbraw/zinc/43/97/51/706439751.db2.gz QIJGOZUZHVUPDN-NSHDSACASA-N 1 2 314.393 1.772 20 10 DDCDLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502743 707021159 /nfs/dbraw/zinc/02/11/59/707021159.db2.gz CBIJBAGRQXHGGE-XVWMLYKFSA-N 1 2 317.433 1.818 20 10 DDCDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894407750 711107424 /nfs/dbraw/zinc/10/74/24/711107424.db2.gz BOEDYMLCCKOGKC-ZIAGYGMSSA-N 1 2 323.389 1.789 20 10 DDCDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894407750 711107426 /nfs/dbraw/zinc/10/74/26/711107426.db2.gz BOEDYMLCCKOGKC-ZIAGYGMSSA-N 1 2 323.389 1.789 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCNC(=O)CC2(C)C)c1O ZINC000931204015 714035069 /nfs/dbraw/zinc/03/50/69/714035069.db2.gz XAWWZBSXHJUISF-UHFFFAOYSA-N 1 2 308.353 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCNC(=O)CC2(C)C)c1O ZINC000931204015 714035072 /nfs/dbraw/zinc/03/50/72/714035072.db2.gz XAWWZBSXHJUISF-UHFFFAOYSA-N 1 2 308.353 1.834 20 10 DDCDLO NC(=O)N[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000690731789 734620558 /nfs/dbraw/zinc/62/05/58/734620558.db2.gz KUQAYXGZXBFIDK-VIFPVBQESA-N 1 2 314.183 1.397 20 10 DDCDLO NC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000690731789 734620560 /nfs/dbraw/zinc/62/05/60/734620560.db2.gz KUQAYXGZXBFIDK-VIFPVBQESA-N 1 2 314.183 1.397 20 10 DDCDLO C[C@H]([NH2+]Cc1nnc(S(C)(=O)=O)s1)c1ccccc1O ZINC001119318176 781403049 /nfs/dbraw/zinc/40/30/49/781403049.db2.gz WYRQTZOLSXAXSX-QMMMGPOBSA-N 1 2 313.404 1.498 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCOC[C@@H](O)C1 ZINC001139126845 860295057 /nfs/dbraw/zinc/29/50/57/860295057.db2.gz RZMOGYOCDLRQOO-NSHDSACASA-N 1 2 305.330 1.000 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCOC[C@@H](O)C1 ZINC001139126845 860295059 /nfs/dbraw/zinc/29/50/59/860295059.db2.gz RZMOGYOCDLRQOO-NSHDSACASA-N 1 2 305.330 1.000 20 10 DDCDLO CCOC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461224 860638111 /nfs/dbraw/zinc/63/81/11/860638111.db2.gz HMGMGSSBLSLGPS-UHFFFAOYSA-N 1 2 312.797 1.726 20 10 DDCDLO COCCN1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141142111 860793112 /nfs/dbraw/zinc/79/31/12/860793112.db2.gz FSKPHPHFCWRMOJ-UHFFFAOYSA-N 1 2 305.422 1.279 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CCN([C@H]4CCOC4)CC3)ccc21 ZINC001141140783 860793480 /nfs/dbraw/zinc/79/34/80/860793480.db2.gz PLIUROCRHOZKPS-INIZCTEOSA-N 1 2 317.433 1.422 20 10 DDCDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001331551651 865150385 /nfs/dbraw/zinc/15/03/85/865150385.db2.gz DWHDSEOCKAMRTN-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001331551651 865150395 /nfs/dbraw/zinc/15/03/95/865150395.db2.gz DWHDSEOCKAMRTN-NSHDSACASA-N 1 2 320.361 1.184 20 10 DDCDLO Oc1c(C[NH+]2CCN(Cc3nnc[nH]3)CC2)ccc2ccccc21 ZINC001331580878 865164585 /nfs/dbraw/zinc/16/45/85/865164585.db2.gz RJCJANGEPQFZST-UHFFFAOYSA-N 1 2 323.400 1.981 20 10 DDCDLO CCOc1ccc(N2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC001321205554 867401752 /nfs/dbraw/zinc/40/17/52/867401752.db2.gz WHROCYJRCSIRPE-HNNXBMFYSA-N 1 2 317.389 1.013 20 10 DDCDLO Cc1ccnc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203883657 870815370 /nfs/dbraw/zinc/81/53/70/870815370.db2.gz LFQWNFXVQZEBSV-UHFFFAOYSA-N 1 2 300.362 1.518 20 10 DDCDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203879199 870816678 /nfs/dbraw/zinc/81/66/78/870816678.db2.gz NCWTVZIIVDHJKM-UHFFFAOYSA-N 1 2 314.389 1.827 20 10 DDCDLO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cc2)CC1 ZINC001350338717 875635968 /nfs/dbraw/zinc/63/59/68/875635968.db2.gz VDJHPHNZZLSGLY-UHFFFAOYSA-N 1 2 313.405 1.401 20 10 DDCDLO COc1ccc(Br)c(C[NH+]2CC3(COC3)C2)c1O ZINC001231548283 885726292 /nfs/dbraw/zinc/72/62/92/885726292.db2.gz RIKODGSJOMFJHY-UHFFFAOYSA-N 1 2 314.179 1.996 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261354 886191779 /nfs/dbraw/zinc/19/17/79/886191779.db2.gz ZSCIRVXGOMIGIX-CYBMUJFWSA-N 1 2 303.717 1.838 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261354 886191783 /nfs/dbraw/zinc/19/17/83/886191783.db2.gz ZSCIRVXGOMIGIX-CYBMUJFWSA-N 1 2 303.717 1.838 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C3COC3)CC2)cc1Cl ZINC001232266652 886199267 /nfs/dbraw/zinc/19/92/67/886199267.db2.gz QPULZGJVYAUYQI-UHFFFAOYSA-N 1 2 312.797 1.571 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC001237677317 889799667 /nfs/dbraw/zinc/79/96/67/889799667.db2.gz LREINRCSAIHRBK-NSHDSACASA-N 1 2 313.195 1.913 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC001237677317 889799674 /nfs/dbraw/zinc/79/96/74/889799674.db2.gz LREINRCSAIHRBK-NSHDSACASA-N 1 2 313.195 1.913 20 10 DDCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(C2COC2)CC1 ZINC001237948219 889953517 /nfs/dbraw/zinc/95/35/17/889953517.db2.gz ZUGPTMFFHYJMEM-UHFFFAOYSA-N 1 2 300.761 1.701 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000048141118 352527090 /nfs/dbraw/zinc/52/70/90/352527090.db2.gz WRLNKEMSDDPHNC-AWEZNQCLSA-N 1 2 320.437 1.273 20 10 DDCDLO CS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761894 407397238 /nfs/dbraw/zinc/39/72/38/407397238.db2.gz MXKCKDYYPXVUCE-CQSZACIVSA-N 1 2 313.419 1.418 20 10 DDCDLO CS(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761894 407397241 /nfs/dbraw/zinc/39/72/41/407397241.db2.gz MXKCKDYYPXVUCE-CQSZACIVSA-N 1 2 313.419 1.418 20 10 DDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)F)CC2)cc1 ZINC000271094849 407511527 /nfs/dbraw/zinc/51/15/27/407511527.db2.gz YASGDRVDQCTGIL-UHFFFAOYSA-N 1 2 323.412 1.682 20 10 DDCDLO CCC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000131679135 407745758 /nfs/dbraw/zinc/74/57/58/407745758.db2.gz IBFCUDNUOCUHGG-QGZVFWFLSA-N 1 2 319.449 1.870 20 10 DDCDLO CCC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000131679135 407745761 /nfs/dbraw/zinc/74/57/61/407745761.db2.gz IBFCUDNUOCUHGG-QGZVFWFLSA-N 1 2 319.449 1.870 20 10 DDCDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278882514 409106623 /nfs/dbraw/zinc/10/66/23/409106623.db2.gz OINRSPCYDNGEEH-UHFFFAOYSA-N 1 2 310.306 1.446 20 10 DDCDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278882514 409106624 /nfs/dbraw/zinc/10/66/24/409106624.db2.gz OINRSPCYDNGEEH-UHFFFAOYSA-N 1 2 310.306 1.446 20 10 DDCDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000294786721 409303980 /nfs/dbraw/zinc/30/39/80/409303980.db2.gz UTQCJMWPVDHSGS-UHFFFAOYSA-N 1 2 309.728 1.826 20 10 DDCDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000294786721 409303984 /nfs/dbraw/zinc/30/39/84/409303984.db2.gz UTQCJMWPVDHSGS-UHFFFAOYSA-N 1 2 309.728 1.826 20 10 DDCDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1O ZINC000295238401 409392085 /nfs/dbraw/zinc/39/20/85/409392085.db2.gz DQGYYPCSMDBQPR-UHFFFAOYSA-N 1 2 318.776 1.721 20 10 DDCDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1O ZINC000295238401 409392090 /nfs/dbraw/zinc/39/20/90/409392090.db2.gz DQGYYPCSMDBQPR-UHFFFAOYSA-N 1 2 318.776 1.721 20 10 DDCDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375426492 418639570 /nfs/dbraw/zinc/63/95/70/418639570.db2.gz ODOJXVFMLHBANY-ZDUSSCGKSA-N 1 2 310.344 1.884 20 10 DDCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000377091209 418705348 /nfs/dbraw/zinc/70/53/48/418705348.db2.gz CSFWPTPUYNMYPI-AWEZNQCLSA-N 1 2 320.389 1.357 20 10 DDCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000377091209 418705349 /nfs/dbraw/zinc/70/53/49/418705349.db2.gz CSFWPTPUYNMYPI-AWEZNQCLSA-N 1 2 320.389 1.357 20 10 DDCDLO CN(C)c1ccc(C2=CCN(C(=O)C[NH+]3CCOCC3)C2)cc1 ZINC000370653469 418746829 /nfs/dbraw/zinc/74/68/29/418746829.db2.gz YDIOAOYDWVLEKJ-UHFFFAOYSA-N 1 2 315.417 1.310 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000362375173 418752957 /nfs/dbraw/zinc/75/29/57/418752957.db2.gz BLLFDRHYMNMPLV-UONOGXRCSA-N 1 2 309.362 1.553 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)c1 ZINC000362375173 418752960 /nfs/dbraw/zinc/75/29/60/418752960.db2.gz BLLFDRHYMNMPLV-UONOGXRCSA-N 1 2 309.362 1.553 20 10 DDCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000295406858 300424441 /nfs/dbraw/zinc/42/44/41/300424441.db2.gz WAXZRMNPUOIMOL-WDEREUQCSA-N 1 2 324.352 1.172 20 10 DDCDLO CN1C[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000365939455 524017581 /nfs/dbraw/zinc/01/75/81/524017581.db2.gz AEXYHJCPPSRGLO-SECBINFHSA-N 1 2 313.760 1.736 20 10 DDCDLO CN1C[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000365939455 524017584 /nfs/dbraw/zinc/01/75/84/524017584.db2.gz AEXYHJCPPSRGLO-SECBINFHSA-N 1 2 313.760 1.736 20 10 DDCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000115780475 696666388 /nfs/dbraw/zinc/66/63/88/696666388.db2.gz PMGKWPWCLCYTIQ-UHFFFAOYSA-N 1 2 301.394 1.757 20 10 DDCDLO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775995752 698058941 /nfs/dbraw/zinc/05/89/41/698058941.db2.gz BZDKMNXLMWSGPX-JTQLQIEISA-N 1 2 302.777 1.995 20 10 DDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779543644 698432848 /nfs/dbraw/zinc/43/28/48/698432848.db2.gz XZNWJWPUHUWFKC-DXTPNHAXSA-N 1 2 313.357 1.861 20 10 DDCDLO COc1cccc(O)c1C[NH+]1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000779613177 698442506 /nfs/dbraw/zinc/44/25/06/698442506.db2.gz HSGRNJNNTXVMSI-SNVBAGLBSA-N 1 2 304.350 1.103 20 10 DDCDLO CCOc1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c(O)c1 ZINC000779614566 698442613 /nfs/dbraw/zinc/44/26/13/698442613.db2.gz SWCJZJAXWPNPQG-NSHDSACASA-N 1 2 318.377 1.493 20 10 DDCDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)C1CCOCC1 ZINC000789580122 699397123 /nfs/dbraw/zinc/39/71/23/699397123.db2.gz LILTZNCEVDLFBC-HNNXBMFYSA-N 1 2 323.389 1.849 20 10 DDCDLO C[C@H](NC(=O)NCc1ccccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000729607237 699483272 /nfs/dbraw/zinc/48/32/72/699483272.db2.gz WVOXBZCAKWQSIJ-STQMWFEESA-N 1 2 307.394 1.301 20 10 DDCDLO COc1ccc(O)c([C@H](C)NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000866765122 706793455 /nfs/dbraw/zinc/79/34/55/706793455.db2.gz RVDVCMNPGIUWHZ-SCOBNMCVSA-N 1 2 320.389 1.466 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535299 705728162 /nfs/dbraw/zinc/72/81/62/705728162.db2.gz IEYJBXZCMAEXIV-QGZUEGPWSA-N 1 2 303.406 1.342 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535299 705728167 /nfs/dbraw/zinc/72/81/67/705728167.db2.gz IEYJBXZCMAEXIV-QGZUEGPWSA-N 1 2 303.406 1.342 20 10 DDCDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877516056 706129272 /nfs/dbraw/zinc/12/92/72/706129272.db2.gz BGAAOPCNMSNERQ-AAEUAGOBSA-N 1 2 312.360 1.965 20 10 DDCDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877516056 706129275 /nfs/dbraw/zinc/12/92/75/706129275.db2.gz BGAAOPCNMSNERQ-AAEUAGOBSA-N 1 2 312.360 1.965 20 10 DDCDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877626758 706163753 /nfs/dbraw/zinc/16/37/53/706163753.db2.gz HYZONSNTOHRBEL-UHFFFAOYSA-N 1 2 316.405 1.971 20 10 DDCDLO Cc1nnc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877626758 706163758 /nfs/dbraw/zinc/16/37/58/706163758.db2.gz HYZONSNTOHRBEL-UHFFFAOYSA-N 1 2 316.405 1.971 20 10 DDCDLO COC(=O)CN1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000898218467 708576813 /nfs/dbraw/zinc/57/68/13/708576813.db2.gz HUMCFTGAOOFMPS-UHFFFAOYSA-N 1 2 312.797 1.773 20 10 DDCDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893720241 710795420 /nfs/dbraw/zinc/79/54/20/710795420.db2.gz XTNDNSDCEABAHN-CYBMUJFWSA-N 1 2 322.405 1.852 20 10 DDCDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893720241 710795425 /nfs/dbraw/zinc/79/54/25/710795425.db2.gz XTNDNSDCEABAHN-CYBMUJFWSA-N 1 2 322.405 1.852 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894890474 711310332 /nfs/dbraw/zinc/31/03/32/711310332.db2.gz SORGIWPUPWMCJY-SECBINFHSA-N 1 2 306.131 1.756 20 10 DDCDLO COc1cc(C)cc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000895183463 711446911 /nfs/dbraw/zinc/44/69/11/711446911.db2.gz LFHVPKNXEDZOAU-GFCCVEGCSA-N 1 2 318.377 1.969 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000691673827 744810338 /nfs/dbraw/zinc/81/03/38/744810338.db2.gz FAPRMWDSDTVMDL-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000691673827 744810340 /nfs/dbraw/zinc/81/03/40/744810340.db2.gz FAPRMWDSDTVMDL-NSHDSACASA-N 1 2 313.195 1.865 20 10 DDCDLO CC[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)CCO1 ZINC001170159670 765961626 /nfs/dbraw/zinc/96/16/26/765961626.db2.gz BGMNEJPEGAXVHA-IHRRRGAJSA-N 1 2 323.389 1.729 20 10 DDCDLO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326232932 861218149 /nfs/dbraw/zinc/21/81/49/861218149.db2.gz UGHATQCCATWMTH-GOEBONIOSA-N 1 2 320.456 1.747 20 10 DDCDLO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1[NH3+] ZINC001236343256 846572149 /nfs/dbraw/zinc/57/21/49/846572149.db2.gz PAWMUFUWPIZHPY-KOLCDFICSA-N 1 2 319.188 1.631 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCNC(=O)CC1 ZINC001139126753 860295944 /nfs/dbraw/zinc/29/59/44/860295944.db2.gz OZZQEBZFLAIDGI-UHFFFAOYSA-N 1 2 302.330 1.129 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCNC(=O)CC1 ZINC001139126753 860295953 /nfs/dbraw/zinc/29/59/53/860295953.db2.gz OZZQEBZFLAIDGI-UHFFFAOYSA-N 1 2 302.330 1.129 20 10 DDCDLO Cc1cc(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)ccc1N(C)C ZINC001139673591 860450388 /nfs/dbraw/zinc/45/03/88/860450388.db2.gz VDJFFDBGLHVQCP-MRXNPFEDSA-N 1 2 303.450 1.966 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC001333184781 866497292 /nfs/dbraw/zinc/49/72/92/866497292.db2.gz AJIXXMXHZXTXGA-CYBMUJFWSA-N 1 2 324.331 1.539 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203931798 870839350 /nfs/dbraw/zinc/83/93/50/870839350.db2.gz WRFPFBTYHGHUAF-OAHLLOKOSA-N 1 2 304.390 1.707 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203931798 870839356 /nfs/dbraw/zinc/83/93/56/870839356.db2.gz WRFPFBTYHGHUAF-OAHLLOKOSA-N 1 2 304.390 1.707 20 10 DDCDLO COc1cc(C[NH+]2CCN(c3cncnc3)CC2)cc(O)c1O ZINC001204346692 871068674 /nfs/dbraw/zinc/06/86/74/871068674.db2.gz VYYVIGHNJUFTTP-UHFFFAOYSA-N 1 2 316.361 1.219 20 10 DDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(Cl)c(O)cc3O)[C@H]2C1 ZINC001232257504 886188502 /nfs/dbraw/zinc/18/85/02/886188502.db2.gz GBXRMMAETJNDLX-ONENECBXSA-N 1 2 313.781 1.723 20 10 DDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(Cl)c(O)cc3O)[C@H]2C1 ZINC001232257504 886188525 /nfs/dbraw/zinc/18/85/25/886188525.db2.gz GBXRMMAETJNDLX-ONENECBXSA-N 1 2 313.781 1.723 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CCN(c3ccncn3)CC2)cc1Cl ZINC001232262984 886195571 /nfs/dbraw/zinc/19/55/71/886195571.db2.gz ZEDWUTGNBNIDEF-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO C[N@H+](Cc1cc(O)c(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233015821 886728928 /nfs/dbraw/zinc/72/89/28/886728928.db2.gz BQJBHGOLCNWOAQ-UHFFFAOYSA-N 1 2 324.377 1.855 20 10 DDCDLO C[N@@H+](Cc1cc(O)c(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233015821 886728944 /nfs/dbraw/zinc/72/89/44/886728944.db2.gz BQJBHGOLCNWOAQ-UHFFFAOYSA-N 1 2 324.377 1.855 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(Cl)c1 ZINC001236801315 889364492 /nfs/dbraw/zinc/36/44/92/889364492.db2.gz DJSHRRZQXLVXET-SECBINFHSA-N 1 2 312.753 1.691 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(Cl)c1 ZINC001236801315 889364502 /nfs/dbraw/zinc/36/45/02/889364502.db2.gz DJSHRRZQXLVXET-SECBINFHSA-N 1 2 312.753 1.691 20 10 DDCDLO C[C@]1(CO)CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237808285 889864721 /nfs/dbraw/zinc/86/47/21/889864721.db2.gz SPLKJYXJMWGHCX-TZMCWYRMSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(F)c(F)c1O ZINC000187831676 299275022 /nfs/dbraw/zinc/27/50/22/299275022.db2.gz GXINAKNVSBKWCE-VIFPVBQESA-N 1 2 300.305 1.180 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000298660586 132072326 /nfs/dbraw/zinc/07/23/26/132072326.db2.gz PNBQKJDDVOORRK-UHFFFAOYSA-N 1 2 321.421 1.644 20 10 DDCDLO O=C(NCc1ccccc1O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269982036 408478485 /nfs/dbraw/zinc/47/84/85/408478485.db2.gz WJHQLWPBQKUGIR-AWEZNQCLSA-N 1 2 312.373 1.865 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1OC ZINC000277301678 408915492 /nfs/dbraw/zinc/91/54/92/408915492.db2.gz AXDFFSGPYZSHSV-FIKIJFGZSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1OC ZINC000277301678 408915493 /nfs/dbraw/zinc/91/54/93/408915493.db2.gz AXDFFSGPYZSHSV-FIKIJFGZSA-N 1 2 313.419 1.752 20 10 DDCDLO CCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1=O ZINC000278118191 409068072 /nfs/dbraw/zinc/06/80/72/409068072.db2.gz ARBMONHNLKHEKZ-UHFFFAOYSA-N 1 2 323.349 1.363 20 10 DDCDLO CCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1=O ZINC000278118191 409068074 /nfs/dbraw/zinc/06/80/74/409068074.db2.gz ARBMONHNLKHEKZ-UHFFFAOYSA-N 1 2 323.349 1.363 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000278487526 409084416 /nfs/dbraw/zinc/08/44/16/409084416.db2.gz KVZVHBCXYIIJCG-UHFFFAOYSA-N 1 2 324.333 1.648 20 10 DDCDLO COC1CCN(c2ccc(C[N@@H+]3CCNC(=O)[C@@H]3C)cc2)CC1 ZINC000297051543 409777133 /nfs/dbraw/zinc/77/71/33/409777133.db2.gz IKMWTEZPZORJLJ-AWEZNQCLSA-N 1 2 317.433 1.622 20 10 DDCDLO COC1CCN(c2ccc(C[N@H+]3CCNC(=O)[C@@H]3C)cc2)CC1 ZINC000297051543 409777143 /nfs/dbraw/zinc/77/71/43/409777143.db2.gz IKMWTEZPZORJLJ-AWEZNQCLSA-N 1 2 317.433 1.622 20 10 DDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1)OCO2 ZINC000377690647 418713353 /nfs/dbraw/zinc/71/33/53/418713353.db2.gz DIOKHURRAIAUEX-TZMCWYRMSA-N 1 2 307.346 1.501 20 10 DDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1)OCO2 ZINC000377690647 418713354 /nfs/dbraw/zinc/71/33/54/418713354.db2.gz DIOKHURRAIAUEX-TZMCWYRMSA-N 1 2 307.346 1.501 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180334132 525210836 /nfs/dbraw/zinc/21/08/36/525210836.db2.gz NDEQVMUYZYEVBW-SNVBAGLBSA-N 1 2 304.799 1.169 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180334132 525210841 /nfs/dbraw/zinc/21/08/41/525210841.db2.gz NDEQVMUYZYEVBW-SNVBAGLBSA-N 1 2 304.799 1.169 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106380201 527368892 /nfs/dbraw/zinc/36/88/92/527368892.db2.gz DTGDQQWOPBVLCQ-CQSZACIVSA-N 1 2 307.350 1.253 20 10 DDCDLO CC[C@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000128469685 696779678 /nfs/dbraw/zinc/77/96/78/696779678.db2.gz IYSKCKRJCBWLOF-LBPRGKRZSA-N 1 2 301.770 1.792 20 10 DDCDLO CC[C@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000128469685 696779680 /nfs/dbraw/zinc/77/96/80/696779680.db2.gz IYSKCKRJCBWLOF-LBPRGKRZSA-N 1 2 301.770 1.792 20 10 DDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Br)c1O ZINC000775994795 698058532 /nfs/dbraw/zinc/05/85/32/698058532.db2.gz LKSCQFAXGJEVEY-VHSXEESVSA-N 1 2 302.168 1.082 20 10 DDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Br)c1O ZINC000775994795 698058537 /nfs/dbraw/zinc/05/85/37/698058537.db2.gz LKSCQFAXGJEVEY-VHSXEESVSA-N 1 2 302.168 1.082 20 10 DDCDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000785733484 699097056 /nfs/dbraw/zinc/09/70/56/699097056.db2.gz PETGMQAAMJFZLD-PHIMTYICSA-N 1 2 307.346 1.697 20 10 DDCDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000785733484 699097060 /nfs/dbraw/zinc/09/70/60/699097060.db2.gz PETGMQAAMJFZLD-PHIMTYICSA-N 1 2 307.346 1.697 20 10 DDCDLO CCC[N@H+](CC(N)=O)Cc1c(O)cccc1Br ZINC000707164360 699245589 /nfs/dbraw/zinc/24/55/89/699245589.db2.gz UUADLARMTRFRSF-UHFFFAOYSA-N 1 2 301.184 1.852 20 10 DDCDLO CCC[N@@H+](CC(N)=O)Cc1c(O)cccc1Br ZINC000707164360 699245592 /nfs/dbraw/zinc/24/55/92/699245592.db2.gz UUADLARMTRFRSF-UHFFFAOYSA-N 1 2 301.184 1.852 20 10 DDCDLO CC(C)[N@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715725755 699276515 /nfs/dbraw/zinc/27/65/15/699276515.db2.gz QGDJCYOVISNLKQ-UHFFFAOYSA-N 1 2 319.174 1.990 20 10 DDCDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715725755 699276517 /nfs/dbraw/zinc/27/65/17/699276517.db2.gz QGDJCYOVISNLKQ-UHFFFAOYSA-N 1 2 319.174 1.990 20 10 DDCDLO COc1ccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c(O)c1 ZINC000792835106 699718237 /nfs/dbraw/zinc/71/82/37/699718237.db2.gz KRMASZXBTWBZJK-LLVKDONJSA-N 1 2 304.350 1.485 20 10 DDCDLO C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458382 700622466 /nfs/dbraw/zinc/62/24/66/700622466.db2.gz MKHBLNXAXIRGGV-CMPLNLGQSA-N 1 2 300.349 1.778 20 10 DDCDLO CN(C(=O)c1cccc(O)c1O)C(C)(C)C[NH+]1CCOCC1 ZINC000840567730 702157237 /nfs/dbraw/zinc/15/72/37/702157237.db2.gz BFMJJLSVYWURFH-UHFFFAOYSA-N 1 2 308.378 1.281 20 10 DDCDLO COc1c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)ccc1[N+](=O)[O-] ZINC000846102365 703238222 /nfs/dbraw/zinc/23/82/22/703238222.db2.gz DRNOURQLKZXPLE-SWHJWPDWSA-N 1 2 312.347 1.014 20 10 DDCDLO COc1c(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)ccc1[N+](=O)[O-] ZINC000846102365 703238223 /nfs/dbraw/zinc/23/82/23/703238223.db2.gz DRNOURQLKZXPLE-SWHJWPDWSA-N 1 2 312.347 1.014 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000858235594 704682879 /nfs/dbraw/zinc/68/28/79/704682879.db2.gz NCKGLALKKQSHPW-ZIAGYGMSSA-N 1 2 321.421 1.609 20 10 DDCDLO C[C@H]([C@H](C)NC(=O)N1Cc2cccc(O)c2C1)[NH+]1CCOCC1 ZINC000875243765 705328602 /nfs/dbraw/zinc/32/86/02/705328602.db2.gz YZIMTRMHHROVKF-QWHCGFSZSA-N 1 2 319.405 1.527 20 10 DDCDLO CC1(C)CN(Cc2ccc(F)c(F)c2O)CC[N@@H+]1CCO ZINC000877458792 706112826 /nfs/dbraw/zinc/11/28/26/706112826.db2.gz DCGODRIZWOYWOQ-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO CC1(C)CN(Cc2ccc(F)c(F)c2O)CC[N@H+]1CCO ZINC000877458792 706112827 /nfs/dbraw/zinc/11/28/27/706112827.db2.gz DCGODRIZWOYWOQ-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](C)C1 ZINC000877489822 706120985 /nfs/dbraw/zinc/12/09/85/706120985.db2.gz WLGQXMRGOYPNFW-MNOVXSKESA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@H](O)C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](C)C1 ZINC000877489822 706120988 /nfs/dbraw/zinc/12/09/88/706120988.db2.gz WLGQXMRGOYPNFW-MNOVXSKESA-N 1 2 300.349 1.557 20 10 DDCDLO CCOc1cccc(C[NH+]2CCN([S@](C)(=N)=O)CC2)c1O ZINC000877793374 706217118 /nfs/dbraw/zinc/21/71/18/706217118.db2.gz WTIIPMACVNVJSS-NRFANRHFSA-N 1 2 313.423 1.500 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC000897618635 708396203 /nfs/dbraw/zinc/39/62/03/708396203.db2.gz IEWVUQDVJAMJTN-PHIMTYICSA-N 1 2 301.795 1.522 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC000897618635 708396207 /nfs/dbraw/zinc/39/62/07/708396207.db2.gz IEWVUQDVJAMJTN-PHIMTYICSA-N 1 2 301.795 1.522 20 10 DDCDLO COc1cccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c1O ZINC000901126165 709936924 /nfs/dbraw/zinc/93/69/24/709936924.db2.gz AOHKZYDIRJZYHU-RAXLEYEMSA-N 1 2 320.389 1.296 20 10 DDCDLO C/C(=C\C(=O)NCc1cccc(Cl)c1O)C[NH+]1CCOCC1 ZINC000890760905 709980093 /nfs/dbraw/zinc/98/00/93/709980093.db2.gz DHIVBTZUSHBXIW-FMIVXFBMSA-N 1 2 324.808 1.940 20 10 DDCDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892142922 710379572 /nfs/dbraw/zinc/37/95/72/710379572.db2.gz HBMFUTIXPIVDKX-GFCCVEGCSA-N 1 2 308.378 1.510 20 10 DDCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892142922 710379574 /nfs/dbraw/zinc/37/95/74/710379574.db2.gz HBMFUTIXPIVDKX-GFCCVEGCSA-N 1 2 308.378 1.510 20 10 DDCDLO Cn1c[nH+]c(CCNC(=O)NCc2cccc(Cl)c2O)c1 ZINC000895290951 711477874 /nfs/dbraw/zinc/47/78/74/711477874.db2.gz DFTNVPQVJOXGAY-UHFFFAOYSA-N 1 2 308.769 1.821 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116442929 780509599 /nfs/dbraw/zinc/50/95/99/780509599.db2.gz YBYHHKQODWXPQQ-CVEARBPZSA-N 1 2 304.390 1.395 20 10 DDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116442929 780509606 /nfs/dbraw/zinc/50/96/06/780509606.db2.gz YBYHHKQODWXPQQ-CVEARBPZSA-N 1 2 304.390 1.395 20 10 DDCDLO Oc1cc2c(cc1C[NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)OCO2 ZINC001118386770 781111505 /nfs/dbraw/zinc/11/15/05/781111505.db2.gz GQTSOTSYHCRILP-LLVKDONJSA-N 1 2 318.333 1.380 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001140854951 860714272 /nfs/dbraw/zinc/71/42/72/860714272.db2.gz HOSAIAWVOQDEGL-JSGCOSHPSA-N 1 2 309.385 1.636 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001140854951 860714275 /nfs/dbraw/zinc/71/42/75/860714275.db2.gz HOSAIAWVOQDEGL-JSGCOSHPSA-N 1 2 309.385 1.636 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(OC)c1 ZINC001141032439 860768960 /nfs/dbraw/zinc/76/89/60/860768960.db2.gz BYTBSJNXOXLLIP-PHIMTYICSA-N 1 2 307.346 1.057 20 10 DDCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(OC)c1 ZINC001141032439 860768963 /nfs/dbraw/zinc/76/89/63/860768963.db2.gz BYTBSJNXOXLLIP-PHIMTYICSA-N 1 2 307.346 1.057 20 10 DDCDLO CCN(CC)c1ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)cc1 ZINC001203941597 870846166 /nfs/dbraw/zinc/84/61/66/870846166.db2.gz CMAXLZSPUNLYSW-UHFFFAOYSA-N 1 2 316.449 1.149 20 10 DDCDLO CCOc1ccc(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001237042773 889477709 /nfs/dbraw/zinc/47/77/09/889477709.db2.gz HFZZSNCRECMSCS-CQSZACIVSA-N 1 2 306.406 1.696 20 10 DDCDLO NC(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237948236 889951948 /nfs/dbraw/zinc/95/19/48/889951948.db2.gz ZZXGCSVSCZREIW-UHFFFAOYSA-N 1 2 301.749 1.817 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000177281254 408569933 /nfs/dbraw/zinc/56/99/33/408569933.db2.gz UJZHGMFYTYWTML-UHFFFAOYSA-N 1 2 324.352 1.025 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(=O)N2CCOCC2)c1O ZINC000177281254 408569940 /nfs/dbraw/zinc/56/99/40/408569940.db2.gz UJZHGMFYTYWTML-UHFFFAOYSA-N 1 2 324.352 1.025 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1O ZINC000319131938 409890654 /nfs/dbraw/zinc/89/06/54/409890654.db2.gz DIUNISADNRGKBB-TZMCWYRMSA-N 1 2 306.337 1.444 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1O ZINC000319131938 409890659 /nfs/dbraw/zinc/89/06/59/409890659.db2.gz DIUNISADNRGKBB-TZMCWYRMSA-N 1 2 306.337 1.444 20 10 DDCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnnn3C)CC2)cc1 ZINC000188848533 222028800 /nfs/dbraw/zinc/02/88/00/222028800.db2.gz JKTRUEAXINHWTB-ZDUSSCGKSA-N 1 2 316.409 1.492 20 10 DDCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnnn3C)CC2)cc1 ZINC000188848533 222028801 /nfs/dbraw/zinc/02/88/01/222028801.db2.gz JKTRUEAXINHWTB-ZDUSSCGKSA-N 1 2 316.409 1.492 20 10 DDCDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C2 ZINC000369736846 418737471 /nfs/dbraw/zinc/73/74/71/418737471.db2.gz DWYCHCMFHTUZLC-LLVKDONJSA-N 1 2 301.346 1.656 20 10 DDCDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(O)c1O)CCC2 ZINC000365789278 418908556 /nfs/dbraw/zinc/90/85/56/418908556.db2.gz RZSCUCFTCNEAOY-LLVKDONJSA-N 1 2 301.346 1.910 20 10 DDCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1S(C)(=O)=O ZINC000181930585 524621408 /nfs/dbraw/zinc/62/14/08/524621408.db2.gz AJYIXBRJXUYQPP-ZDUSSCGKSA-N 1 2 311.451 1.218 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCN1S(C)(=O)=O ZINC000181930585 524621415 /nfs/dbraw/zinc/62/14/15/524621415.db2.gz AJYIXBRJXUYQPP-ZDUSSCGKSA-N 1 2 311.451 1.218 20 10 DDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(Cl)cc(OC)c1O ZINC000273774670 536823694 /nfs/dbraw/zinc/82/36/94/536823694.db2.gz RMUXXFAYMLPAQK-UHFFFAOYSA-N 1 2 317.769 1.676 20 10 DDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(Cl)cc(OC)c1O ZINC000273774670 536823699 /nfs/dbraw/zinc/82/36/99/536823699.db2.gz RMUXXFAYMLPAQK-UHFFFAOYSA-N 1 2 317.769 1.676 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000184693519 697506969 /nfs/dbraw/zinc/50/69/69/697506969.db2.gz FYCMMYYPGPKXOK-VIFPVBQESA-N 1 2 321.826 1.919 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000184693519 697506970 /nfs/dbraw/zinc/50/69/70/697506970.db2.gz FYCMMYYPGPKXOK-VIFPVBQESA-N 1 2 321.826 1.919 20 10 DDCDLO CCN(C)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000773775253 697803285 /nfs/dbraw/zinc/80/32/85/697803285.db2.gz YBIYYUJDTQYDQT-JOCHJYFZSA-N 1 2 323.506 1.639 20 10 DDCDLO CC[C@H](C(=O)NCc1ccccc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC000774067327 697839568 /nfs/dbraw/zinc/83/95/68/697839568.db2.gz XZNNOLFMPHWVFF-HUUCEWRRSA-N 1 2 306.406 1.898 20 10 DDCDLO CC[C@H](C(=O)NCc1ccccc1O)[N@H+]1CCO[C@H](CC)C1 ZINC000774067327 697839571 /nfs/dbraw/zinc/83/95/71/697839571.db2.gz XZNNOLFMPHWVFF-HUUCEWRRSA-N 1 2 306.406 1.898 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(CO)C2)c1O ZINC000313693625 698683596 /nfs/dbraw/zinc/68/35/96/698683596.db2.gz JSUOXQISXBRRGU-OAHLLOKOSA-N 1 2 313.781 1.567 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](O)(CO)C2)c1O ZINC000313693625 698683601 /nfs/dbraw/zinc/68/36/01/698683601.db2.gz JSUOXQISXBRRGU-OAHLLOKOSA-N 1 2 313.781 1.567 20 10 DDCDLO COC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715791001 699277111 /nfs/dbraw/zinc/27/71/11/699277111.db2.gz DWTSHOIAHSINLA-GFCCVEGCSA-N 1 2 322.174 1.781 20 10 DDCDLO C[C@@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000839564366 701737979 /nfs/dbraw/zinc/73/79/79/701737979.db2.gz TWSHNGQDAKIVCH-LLVKDONJSA-N 1 2 315.425 1.437 20 10 DDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1[O-] ZINC000841098512 702344618 /nfs/dbraw/zinc/34/46/18/702344618.db2.gz HGTWUGKSYKIWIV-SNVBAGLBSA-N 1 2 301.730 1.032 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)CCn2cc[nH+]c2)cc1 ZINC000844853019 703078867 /nfs/dbraw/zinc/07/88/67/703078867.db2.gz QVFLTWJVRHQVNR-UHFFFAOYSA-N 1 2 316.405 1.877 20 10 DDCDLO CCn1nnc(C)c1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000823382306 705227221 /nfs/dbraw/zinc/22/72/21/705227221.db2.gz DUJOUXJHMSMQGJ-UHFFFAOYSA-N 1 2 315.421 1.937 20 10 DDCDLO C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(N(C)C)cc1 ZINC000875507212 705412479 /nfs/dbraw/zinc/41/24/79/705412479.db2.gz BPQBEXFDXAEHEK-JSGCOSHPSA-N 1 2 313.405 1.934 20 10 DDCDLO OCCCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876724747 705840850 /nfs/dbraw/zinc/84/08/50/705840850.db2.gz HHRHZCJDUKMJDH-UHFFFAOYSA-N 1 2 300.349 1.561 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(OC)c1 ZINC000877708145 706183879 /nfs/dbraw/zinc/18/38/79/706183879.db2.gz BIYCTPLQSGWCBO-UHFFFAOYSA-N 1 2 302.378 1.749 20 10 DDCDLO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132116 707935883 /nfs/dbraw/zinc/93/58/83/707935883.db2.gz GPKRVNXTXWCPJN-ZDUSSCGKSA-N 1 2 300.349 1.607 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000897062018 708220416 /nfs/dbraw/zinc/22/04/16/708220416.db2.gz NRAHZMILSDJFHF-MRVPVSSYSA-N 1 2 322.789 1.295 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000897062018 708220420 /nfs/dbraw/zinc/22/04/20/708220420.db2.gz NRAHZMILSDJFHF-MRVPVSSYSA-N 1 2 322.789 1.295 20 10 DDCDLO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn(C)n2)N(C)C)cc1 ZINC000898451300 708644811 /nfs/dbraw/zinc/64/48/11/708644811.db2.gz XBTZZFNAKNWYIE-MRXNPFEDSA-N 1 2 302.426 1.274 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886248993 708725507 /nfs/dbraw/zinc/72/55/07/708725507.db2.gz AGSORHMIMYLUHQ-UIKWRGBMSA-N 1 2 320.158 1.268 20 10 DDCDLO C/C(=C\C(=O)N(C)Cc1ccccc1O)C[NH+]1CCOCC1 ZINC000901054174 709902745 /nfs/dbraw/zinc/90/27/45/709902745.db2.gz BXOQEIDJPMJOGM-SDNWHVSQSA-N 1 2 304.390 1.629 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744270 735963960 /nfs/dbraw/zinc/96/39/60/735963960.db2.gz RMFWIECQDJGASP-LBPRGKRZSA-N 1 2 307.346 1.360 20 10 DDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744270 735963963 /nfs/dbraw/zinc/96/39/63/735963963.db2.gz RMFWIECQDJGASP-LBPRGKRZSA-N 1 2 307.346 1.360 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(OC)c1 ZINC001138390443 860083578 /nfs/dbraw/zinc/08/35/78/860083578.db2.gz XBMZJTDYELHMGE-MRXNPFEDSA-N 1 2 321.421 1.228 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(OC)c1 ZINC001138390443 860083586 /nfs/dbraw/zinc/08/35/86/860083586.db2.gz XBMZJTDYELHMGE-MRXNPFEDSA-N 1 2 321.421 1.228 20 10 DDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140057396 860566652 /nfs/dbraw/zinc/56/66/52/860566652.db2.gz FIEGVWNJTYSBGX-GFCCVEGCSA-N 1 2 309.259 1.657 20 10 DDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140057396 860566656 /nfs/dbraw/zinc/56/66/56/860566656.db2.gz FIEGVWNJTYSBGX-GFCCVEGCSA-N 1 2 309.259 1.657 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CCN(C(=O)C4CC4)CC3)ccc21 ZINC001141143141 860793842 /nfs/dbraw/zinc/79/38/42/860793842.db2.gz OWFFTKQGBUFLCU-UHFFFAOYSA-N 1 2 315.417 1.569 20 10 DDCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2C ZINC001203877463 870813396 /nfs/dbraw/zinc/81/33/96/870813396.db2.gz GTFDKMVYIFRMBE-CYBMUJFWSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2C ZINC001203877463 870813411 /nfs/dbraw/zinc/81/34/11/870813411.db2.gz GTFDKMVYIFRMBE-CYBMUJFWSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2nnn(C)c21 ZINC001204274145 871031803 /nfs/dbraw/zinc/03/18/03/871031803.db2.gz JYIADPCNTPCZME-GFCCVEGCSA-N 1 2 318.377 1.362 20 10 DDCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)cc2O)Cc2nnn(C)c21 ZINC001204274145 871031824 /nfs/dbraw/zinc/03/18/24/871031824.db2.gz JYIADPCNTPCZME-GFCCVEGCSA-N 1 2 318.377 1.362 20 10 DDCDLO Cc1cc(C[NH+]2CC3(C2)CC[C@@H](C(N)=O)O3)ccc1N(C)C ZINC001276929331 881139016 /nfs/dbraw/zinc/13/90/16/881139016.db2.gz UIPDAHMWLXLRMH-HNNXBMFYSA-N 1 2 303.406 1.280 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001231853303 885907813 /nfs/dbraw/zinc/90/78/13/885907813.db2.gz IEXMYBSAZRSWHJ-UHFFFAOYSA-N 1 2 317.433 1.815 20 10 DDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233452267 887002374 /nfs/dbraw/zinc/00/23/74/887002374.db2.gz PMQMLNPYGZCWLN-LBPRGKRZSA-N 1 2 319.279 1.785 20 10 DDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233452267 887002395 /nfs/dbraw/zinc/00/23/95/887002395.db2.gz PMQMLNPYGZCWLN-LBPRGKRZSA-N 1 2 319.279 1.785 20 10 DDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)cc1O ZINC001233486636 887020997 /nfs/dbraw/zinc/02/09/97/887020997.db2.gz VWEKZIIVXDIQQV-MRXNPFEDSA-N 1 2 302.330 1.772 20 10 DDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccncc3)C2)cc1O ZINC001233486636 887021008 /nfs/dbraw/zinc/02/10/08/887021008.db2.gz VWEKZIIVXDIQQV-MRXNPFEDSA-N 1 2 302.330 1.772 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC)c(O)c1 ZINC001237046854 889479104 /nfs/dbraw/zinc/47/91/04/889479104.db2.gz HFMJZMDEGJYKSH-AWEZNQCLSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC)c(O)c1 ZINC001237046854 889479110 /nfs/dbraw/zinc/47/91/10/889479110.db2.gz HFMJZMDEGJYKSH-AWEZNQCLSA-N 1 2 323.389 1.945 20 10 DDCDLO COC(=O)Cc1ccc(C[N@@H+]2CCc3oc(C)nc3C2)c(O)c1 ZINC001249217556 893875391 /nfs/dbraw/zinc/87/53/91/893875391.db2.gz POXDNZLTWFVNST-UHFFFAOYSA-N 1 2 316.357 1.962 20 10 DDCDLO COC(=O)Cc1ccc(C[N@H+]2CCc3oc(C)nc3C2)c(O)c1 ZINC001249217556 893875403 /nfs/dbraw/zinc/87/54/03/893875403.db2.gz POXDNZLTWFVNST-UHFFFAOYSA-N 1 2 316.357 1.962 20 10 DDCDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(O)c1O ZINC000186937229 407799802 /nfs/dbraw/zinc/79/98/02/407799802.db2.gz KMGOHIXFJRQLQN-UHFFFAOYSA-N 1 2 313.357 1.892 20 10 DDCDLO CCOCC[NH+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000177279044 408570758 /nfs/dbraw/zinc/57/07/58/408570758.db2.gz YICYJORMGISGQH-UHFFFAOYSA-N 1 2 324.396 1.888 20 10 DDCDLO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1O ZINC000276269383 408828447 /nfs/dbraw/zinc/82/84/47/408828447.db2.gz ZEWWCMZNOJZUHR-RKDXNWHRSA-N 1 2 305.346 1.756 20 10 DDCDLO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(O)c1O ZINC000376172437 418693347 /nfs/dbraw/zinc/69/33/47/418693347.db2.gz MTOMZSRSCQSZQH-CHWSQXEVSA-N 1 2 320.389 1.341 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000897 337083617 /nfs/dbraw/zinc/08/36/17/337083617.db2.gz UGOHSSQFXUBGBM-NEPJUHHUSA-N 1 2 323.345 1.273 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000897 337083618 /nfs/dbraw/zinc/08/36/18/337083618.db2.gz UGOHSSQFXUBGBM-NEPJUHHUSA-N 1 2 323.345 1.273 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692695 697440702 /nfs/dbraw/zinc/44/07/02/697440702.db2.gz UKYCDUFZWDUSLN-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692695 697440703 /nfs/dbraw/zinc/44/07/03/697440703.db2.gz UKYCDUFZWDUSLN-LLVKDONJSA-N 1 2 318.826 1.559 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774868610 697936156 /nfs/dbraw/zinc/93/61/56/697936156.db2.gz GJXYHTDYZWHBPY-NSHDSACASA-N 1 2 321.333 1.116 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774868610 697936159 /nfs/dbraw/zinc/93/61/59/697936159.db2.gz GJXYHTDYZWHBPY-NSHDSACASA-N 1 2 321.333 1.116 20 10 DDCDLO C[N@H+](CCC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715788213 699277046 /nfs/dbraw/zinc/27/70/46/699277046.db2.gz YSNFSAFTYSAVNC-UHFFFAOYSA-N 1 2 305.147 1.601 20 10 DDCDLO C[N@@H+](CCC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715788213 699277049 /nfs/dbraw/zinc/27/70/49/699277049.db2.gz YSNFSAFTYSAVNC-UHFFFAOYSA-N 1 2 305.147 1.601 20 10 DDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793321981 699750333 /nfs/dbraw/zinc/75/03/33/699750333.db2.gz FEMZTWVHGQFCLC-GFCCVEGCSA-N 1 2 310.369 1.656 20 10 DDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793321981 699750334 /nfs/dbraw/zinc/75/03/34/699750334.db2.gz FEMZTWVHGQFCLC-GFCCVEGCSA-N 1 2 310.369 1.656 20 10 DDCDLO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000761679503 700866670 /nfs/dbraw/zinc/86/66/70/700866670.db2.gz FNIIUSBHVRVWSF-OAHLLOKOSA-N 1 2 302.378 1.702 20 10 DDCDLO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000761679503 700866672 /nfs/dbraw/zinc/86/66/72/700866672.db2.gz FNIIUSBHVRVWSF-OAHLLOKOSA-N 1 2 302.378 1.702 20 10 DDCDLO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957723 702294135 /nfs/dbraw/zinc/29/41/35/702294135.db2.gz MQYVEBNKTJGPTQ-NSHDSACASA-N 1 2 312.797 1.582 20 10 DDCDLO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957723 702294138 /nfs/dbraw/zinc/29/41/38/702294138.db2.gz MQYVEBNKTJGPTQ-NSHDSACASA-N 1 2 312.797 1.582 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835045789 707162199 /nfs/dbraw/zinc/16/21/99/707162199.db2.gz ZDTJXYPPWILUJH-JZIMQPMSSA-N 1 2 314.389 1.002 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835045789 707162200 /nfs/dbraw/zinc/16/22/00/707162200.db2.gz ZDTJXYPPWILUJH-JZIMQPMSSA-N 1 2 314.389 1.002 20 10 DDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCNC1=O ZINC000894094379 710964396 /nfs/dbraw/zinc/96/43/96/710964396.db2.gz LKJMSJNXOJKYQC-JTQLQIEISA-N 1 2 317.158 1.614 20 10 DDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCNC1=O ZINC000894094379 710964399 /nfs/dbraw/zinc/96/43/99/710964399.db2.gz LKJMSJNXOJKYQC-JTQLQIEISA-N 1 2 317.158 1.614 20 10 DDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894836178 711290732 /nfs/dbraw/zinc/29/07/32/711290732.db2.gz HNSDMTOJFGPICG-LLVKDONJSA-N 1 2 320.361 1.136 20 10 DDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894836178 711290733 /nfs/dbraw/zinc/29/07/33/711290733.db2.gz HNSDMTOJFGPICG-LLVKDONJSA-N 1 2 320.361 1.136 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895701680 711581823 /nfs/dbraw/zinc/58/18/23/711581823.db2.gz BXLQVPISRMTYJO-HNNXBMFYSA-N 1 2 314.332 1.141 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895701680 711581824 /nfs/dbraw/zinc/58/18/24/711581824.db2.gz BXLQVPISRMTYJO-HNNXBMFYSA-N 1 2 314.332 1.141 20 10 DDCDLO CN(CCC[NH2+]Cc1cccc(Cl)c1O)S(C)(=O)=O ZINC000692441324 735348197 /nfs/dbraw/zinc/34/81/97/735348197.db2.gz TYJQMIASRIWEIL-UHFFFAOYSA-N 1 2 306.815 1.417 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001139129068 860298544 /nfs/dbraw/zinc/29/85/44/860298544.db2.gz NGZQMKWUUUBYRO-CYBMUJFWSA-N 1 2 316.357 1.647 20 10 DDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@@H]1C(N)=O ZINC001139129068 860298549 /nfs/dbraw/zinc/29/85/49/860298549.db2.gz NGZQMKWUUUBYRO-CYBMUJFWSA-N 1 2 316.357 1.647 20 10 DDCDLO COCCC[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140583667 860657782 /nfs/dbraw/zinc/65/77/82/860657782.db2.gz QGYWFIFQLLFVDD-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO Oc1cc(F)cc(F)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001140585228 860658638 /nfs/dbraw/zinc/65/86/38/860658638.db2.gz AEOGECXFRNVBQO-CYBMUJFWSA-N 1 2 312.360 1.967 20 10 DDCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141032427 860768156 /nfs/dbraw/zinc/76/81/56/860768156.db2.gz BNZJBRIQMBVANZ-OHUAYANFSA-N 1 2 321.373 1.935 20 10 DDCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141032427 860768160 /nfs/dbraw/zinc/76/81/60/860768160.db2.gz BNZJBRIQMBVANZ-OHUAYANFSA-N 1 2 321.373 1.935 20 10 DDCDLO CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139126 860793650 /nfs/dbraw/zinc/79/36/50/860793650.db2.gz JWEICXDECVNSAX-UHFFFAOYSA-N 1 2 303.406 1.569 20 10 DDCDLO CCOc1ccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC001331928954 865439517 /nfs/dbraw/zinc/43/95/17/865439517.db2.gz KNLOEIDVADVOID-UHFFFAOYSA-N 1 2 314.389 1.700 20 10 DDCDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276538673 873350429 /nfs/dbraw/zinc/35/04/29/873350429.db2.gz ZNBINTXEJQFBOZ-OKILXGFUSA-N 1 2 310.369 1.410 20 10 DDCDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276538673 873350437 /nfs/dbraw/zinc/35/04/37/873350437.db2.gz ZNBINTXEJQFBOZ-OKILXGFUSA-N 1 2 310.369 1.410 20 10 DDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N(C)C2COC2)C1 ZINC001231853653 885907792 /nfs/dbraw/zinc/90/77/92/885907792.db2.gz NNJQDJSFZKEQIG-UHFFFAOYSA-N 1 2 305.422 1.276 20 10 DDCDLO OCc1ccc2c(c1)CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233009830 886721724 /nfs/dbraw/zinc/72/17/24/886721724.db2.gz CXGFWMPDDZOCQX-UHFFFAOYSA-N 1 2 301.342 1.854 20 10 DDCDLO OCc1ccc2c(c1)CC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233009830 886721730 /nfs/dbraw/zinc/72/17/30/886721730.db2.gz CXGFWMPDDZOCQX-UHFFFAOYSA-N 1 2 301.342 1.854 20 10 DDCDLO Oc1cc(O)c(C[NH+]2CC(N3CCC(F)(F)C3)C2)cc1O ZINC001233485778 887018099 /nfs/dbraw/zinc/01/80/99/887018099.db2.gz KLQFCDGYYSCABS-UHFFFAOYSA-N 1 2 300.305 1.329 20 10 DDCDLO CC(=O)NC1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760767 887294090 /nfs/dbraw/zinc/29/40/90/887294090.db2.gz JWPUATYDVMHEJA-UHFFFAOYSA-N 1 2 304.268 1.611 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@H](C(=O)OC)C1 ZINC000272520393 130037518 /nfs/dbraw/zinc/03/75/18/130037518.db2.gz KYFDHDZTLVPPCW-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)[C@H](C(=O)OC)C1 ZINC000272520393 130037519 /nfs/dbraw/zinc/03/75/19/130037519.db2.gz KYFDHDZTLVPPCW-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000007114531 406749793 /nfs/dbraw/zinc/74/97/93/406749793.db2.gz OXHOXJVUIOTUDY-GASCZTMLSA-N 1 2 319.449 1.820 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000007114531 406749797 /nfs/dbraw/zinc/74/97/97/406749797.db2.gz OXHOXJVUIOTUDY-GASCZTMLSA-N 1 2 319.449 1.820 20 10 DDCDLO COCCN1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179641310 407816805 /nfs/dbraw/zinc/81/68/05/407816805.db2.gz FTSRHQKZRVDAOU-UHFFFAOYSA-N 1 2 310.394 1.173 20 10 DDCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282253569 409019146 /nfs/dbraw/zinc/01/91/46/409019146.db2.gz BIPDWKDDSJEFPR-GFCCVEGCSA-N 1 2 303.811 1.973 20 10 DDCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282253569 409019148 /nfs/dbraw/zinc/01/91/48/409019148.db2.gz BIPDWKDDSJEFPR-GFCCVEGCSA-N 1 2 303.811 1.973 20 10 DDCDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cccc(O)c1O ZINC000189194184 222038701 /nfs/dbraw/zinc/03/87/01/222038701.db2.gz ZXLSHSGPYKMFTG-UHFFFAOYSA-N 1 2 310.313 1.609 20 10 DDCDLO Nc1ccc(CC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000195153743 222191130 /nfs/dbraw/zinc/19/11/30/222191130.db2.gz BNMSNQIHYHLBDK-UHFFFAOYSA-N 1 2 307.357 1.708 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376548121 418698707 /nfs/dbraw/zinc/69/87/07/418698707.db2.gz NGYHCQDCRUTKSO-UHFFFAOYSA-N 1 2 304.390 1.606 20 10 DDCDLO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nncn1C ZINC000285302445 277760858 /nfs/dbraw/zinc/76/08/58/277760858.db2.gz HJOWCGVOJCBFFT-CYBMUJFWSA-N 1 2 305.338 1.916 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684081 295167481 /nfs/dbraw/zinc/16/74/81/295167481.db2.gz VHUUYIHVJWYMOA-GLXFQSAKSA-N 1 2 319.361 1.961 20 10 DDCDLO COc1ccc(O)c([C@@H](C)[N@H+]2C[C@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684081 295167482 /nfs/dbraw/zinc/16/74/82/295167482.db2.gz VHUUYIHVJWYMOA-GLXFQSAKSA-N 1 2 319.361 1.961 20 10 DDCDLO CCCOc1ccc(C[N@@H+]2CCN(CCOC)C(=O)C2)c(O)c1 ZINC000181576301 520349857 /nfs/dbraw/zinc/34/98/57/520349857.db2.gz GYCZDIYBFNMTNV-UHFFFAOYSA-N 1 2 322.405 1.472 20 10 DDCDLO CCCOc1ccc(C[N@H+]2CCN(CCOC)C(=O)C2)c(O)c1 ZINC000181576301 520349863 /nfs/dbraw/zinc/34/98/63/520349863.db2.gz GYCZDIYBFNMTNV-UHFFFAOYSA-N 1 2 322.405 1.472 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000161008357 526543015 /nfs/dbraw/zinc/54/30/15/526543015.db2.gz VJACNYJHPZHSHF-OAHLLOKOSA-N 1 2 324.808 1.869 20 10 DDCDLO CCN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000747681762 700081527 /nfs/dbraw/zinc/08/15/27/700081527.db2.gz RPQUQGMBKRMDNN-HNNXBMFYSA-N 1 2 324.421 1.223 20 10 DDCDLO COc1c(O)c(C[NH2+]CCc2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000775055986 697958710 /nfs/dbraw/zinc/95/87/10/697958710.db2.gz JMPBXECMIOWONE-UHFFFAOYSA-N 1 2 307.310 1.068 20 10 DDCDLO COc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1O ZINC000778915355 698381593 /nfs/dbraw/zinc/38/15/93/698381593.db2.gz RZARDDLWYNAZDH-UHFFFAOYSA-N 1 2 324.340 1.912 20 10 DDCDLO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000779214937 698402556 /nfs/dbraw/zinc/40/25/56/698402556.db2.gz HVPIRHIESDQMJL-UHFFFAOYSA-N 1 2 322.789 1.166 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779667036 698452010 /nfs/dbraw/zinc/45/20/10/698452010.db2.gz ZGIWJQPVKMUAHS-CYBMUJFWSA-N 1 2 300.362 1.745 20 10 DDCDLO COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708097969 699248395 /nfs/dbraw/zinc/24/83/95/699248395.db2.gz BCTRNULELOPYNN-VIFPVBQESA-N 1 2 324.602 1.905 20 10 DDCDLO COc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000793063399 699731495 /nfs/dbraw/zinc/73/14/95/699731495.db2.gz ONJQUEXQJHZYMX-LBPRGKRZSA-N 1 2 316.361 1.412 20 10 DDCDLO C[N@H+](Cc1nnc2ccccn21)Cc1cc2c(cc1O)OCO2 ZINC000769203301 701236233 /nfs/dbraw/zinc/23/62/33/701236233.db2.gz NTWZWVUJMLMZOH-UHFFFAOYSA-N 1 2 312.329 1.796 20 10 DDCDLO C[N@@H+](Cc1nnc2ccccn21)Cc1cc2c(cc1O)OCO2 ZINC000769203301 701236234 /nfs/dbraw/zinc/23/62/34/701236234.db2.gz NTWZWVUJMLMZOH-UHFFFAOYSA-N 1 2 312.329 1.796 20 10 DDCDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(F)cc(F)c1O ZINC000769989114 701263523 /nfs/dbraw/zinc/26/35/23/701263523.db2.gz POXSMTNQLFTJCH-MRVPVSSYSA-N 1 2 309.320 1.918 20 10 DDCDLO CC(=O)C(=O)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000808546113 701523236 /nfs/dbraw/zinc/52/32/36/701523236.db2.gz AUBVPUMBPRGTHG-UHFFFAOYSA-N 1 2 310.256 1.324 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c(O)c1 ZINC000811502423 701994372 /nfs/dbraw/zinc/99/43/72/701994372.db2.gz SUQAOSOEMMDURL-MRXNPFEDSA-N 1 2 305.374 1.971 20 10 DDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c(O)c1 ZINC000811502423 701994377 /nfs/dbraw/zinc/99/43/77/701994377.db2.gz SUQAOSOEMMDURL-MRXNPFEDSA-N 1 2 305.374 1.971 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000840943265 702288865 /nfs/dbraw/zinc/28/88/65/702288865.db2.gz ZQZCVUCCTPRLNI-JTQLQIEISA-N 1 2 303.811 1.973 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000840943265 702288867 /nfs/dbraw/zinc/28/88/67/702288867.db2.gz ZQZCVUCCTPRLNI-JTQLQIEISA-N 1 2 303.811 1.973 20 10 DDCDLO CN(C)c1ccc(CNC(=O)CN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000859308630 704858654 /nfs/dbraw/zinc/85/86/54/704858654.db2.gz OABDTGAWSYNTAN-UHFFFAOYSA-N 1 2 313.405 1.150 20 10 DDCDLO C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(N(C)C)cc1 ZINC000875507216 705412384 /nfs/dbraw/zinc/41/23/84/705412384.db2.gz BPQBEXFDXAEHEK-TZMCWYRMSA-N 1 2 313.405 1.934 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535298 705728376 /nfs/dbraw/zinc/72/83/76/705728376.db2.gz IEYJBXZCMAEXIV-QDLOVBKTSA-N 1 2 303.406 1.342 20 10 DDCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535298 705728379 /nfs/dbraw/zinc/72/83/79/705728379.db2.gz IEYJBXZCMAEXIV-QDLOVBKTSA-N 1 2 303.406 1.342 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877652782 706171079 /nfs/dbraw/zinc/17/10/79/706171079.db2.gz OALQGPBLTYJBDD-CQSZACIVSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877652782 706171081 /nfs/dbraw/zinc/17/10/81/706171081.db2.gz OALQGPBLTYJBDD-CQSZACIVSA-N 1 2 301.289 1.434 20 10 DDCDLO COC(=O)C1(O)C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000877768940 706203478 /nfs/dbraw/zinc/20/34/78/706203478.db2.gz KSDRIDDLPNRTNU-UHFFFAOYSA-N 1 2 313.353 1.779 20 10 DDCDLO COc1cccc(O)c1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000865687541 706497196 /nfs/dbraw/zinc/49/71/96/706497196.db2.gz RKBBKNCZPSTZEJ-UHFFFAOYSA-N 1 2 318.377 1.703 20 10 DDCDLO COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1O ZINC000830541451 706533539 /nfs/dbraw/zinc/53/35/39/706533539.db2.gz YBZSQGGCYFEOFM-VXGBXAGGSA-N 1 2 301.346 1.554 20 10 DDCDLO CN(C)c1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000881272031 707176138 /nfs/dbraw/zinc/17/61/38/707176138.db2.gz JOCRTSUOWROIHD-UHFFFAOYSA-N 1 2 315.421 1.267 20 10 DDCDLO COc1cc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)c(O)cc1C ZINC000872797994 707605907 /nfs/dbraw/zinc/60/59/07/707605907.db2.gz VLISLMVYQVGVOL-OAQYLSRUSA-N 1 2 313.423 1.418 20 10 DDCDLO CC(C)C1(O)C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000839132544 708028754 /nfs/dbraw/zinc/02/87/54/708028754.db2.gz HRYQPHJZVXIMPN-UHFFFAOYSA-N 1 2 308.397 1.865 20 10 DDCDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893967401 710903699 /nfs/dbraw/zinc/90/36/99/710903699.db2.gz KUDJCBWNSTZJTH-LBPRGKRZSA-N 1 2 311.332 1.660 20 10 DDCDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893967401 710903704 /nfs/dbraw/zinc/90/37/04/710903704.db2.gz KUDJCBWNSTZJTH-LBPRGKRZSA-N 1 2 311.332 1.660 20 10 DDCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000893988293 710913018 /nfs/dbraw/zinc/91/30/18/710913018.db2.gz VIQSIZFSOGNIHU-UHFFFAOYSA-N 1 2 306.316 1.783 20 10 DDCDLO O=CN1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000894045136 710941607 /nfs/dbraw/zinc/94/16/07/710941607.db2.gz GWDRAXIUKJTAHK-UHFFFAOYSA-N 1 2 313.195 1.865 20 10 DDCDLO COC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@H+](C)C1 ZINC000894995522 711355825 /nfs/dbraw/zinc/35/58/25/711355825.db2.gz ZIEQUCWJXLPOAB-LLVKDONJSA-N 1 2 314.332 1.207 20 10 DDCDLO COC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@@H+](C)C1 ZINC000894995522 711355828 /nfs/dbraw/zinc/35/58/28/711355828.db2.gz ZIEQUCWJXLPOAB-LLVKDONJSA-N 1 2 314.332 1.207 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895703358 711582987 /nfs/dbraw/zinc/58/29/87/711582987.db2.gz LWRPZGJXKVDAGJ-ZDUSSCGKSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895703358 711582990 /nfs/dbraw/zinc/58/29/90/711582990.db2.gz LWRPZGJXKVDAGJ-ZDUSSCGKSA-N 1 2 303.717 1.295 20 10 DDCDLO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000895812125 711613661 /nfs/dbraw/zinc/61/36/61/711613661.db2.gz LRBRCAVREAQHTR-UHFFFAOYSA-N 1 2 318.826 1.559 20 10 DDCDLO C[N@H+](Cc1cn(Cc2ncon2)nn1)Cc1ccccc1O ZINC000906275909 712280643 /nfs/dbraw/zinc/28/06/43/712280643.db2.gz HMCTZGXEQLSPQI-UHFFFAOYSA-N 1 2 300.322 1.047 20 10 DDCDLO C[N@@H+](Cc1cn(Cc2ncon2)nn1)Cc1ccccc1O ZINC000906275909 712280645 /nfs/dbraw/zinc/28/06/45/712280645.db2.gz HMCTZGXEQLSPQI-UHFFFAOYSA-N 1 2 300.322 1.047 20 10 DDCDLO C[NH+]1CCN(c2ccc(CNc3nccc4nn[nH]c43)cc2)CC1 ZINC001167423397 733444715 /nfs/dbraw/zinc/44/47/15/733444715.db2.gz YBTNVUBSIZJLKF-UHFFFAOYSA-N 1 2 323.404 1.717 20 10 DDCDLO CC(=O)NCc1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168006597 740542094 /nfs/dbraw/zinc/54/20/94/740542094.db2.gz QPZRVIJOPGQBJM-UHFFFAOYSA-N 1 2 317.345 1.489 20 10 DDCDLO O=C(NC1CC[NH+](CCF)CC1)c1ccc(O)c(O)c1Cl ZINC001193236879 746026878 /nfs/dbraw/zinc/02/68/78/746026878.db2.gz SGTGUCPVGUFJOF-UHFFFAOYSA-N 1 2 316.760 1.915 20 10 DDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001119152688 781336693 /nfs/dbraw/zinc/33/66/93/781336693.db2.gz OOODWXCLNNTJOI-HNNXBMFYSA-N 1 2 323.400 1.683 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275424813 853101951 /nfs/dbraw/zinc/10/19/51/853101951.db2.gz FOAKAHTYVJODKR-BETUJISGSA-N 1 2 305.378 1.474 20 10 DDCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275424813 853101956 /nfs/dbraw/zinc/10/19/56/853101956.db2.gz FOAKAHTYVJODKR-BETUJISGSA-N 1 2 305.378 1.474 20 10 DDCDLO COCCOC[N@@H+]1C[C@H]2C[C@@H](C1)N(c1ccc(OC)c(F)c1)C2 ZINC001277008978 881607921 /nfs/dbraw/zinc/60/79/21/881607921.db2.gz CSPBNSLNSDGVII-HIFRSBDPSA-N 1 2 324.396 1.965 20 10 DDCDLO COCCOC[N@H+]1C[C@H]2C[C@@H](C1)N(c1ccc(OC)c(F)c1)C2 ZINC001277008978 881607928 /nfs/dbraw/zinc/60/79/28/881607928.db2.gz CSPBNSLNSDGVII-HIFRSBDPSA-N 1 2 324.396 1.965 20 10 DDCDLO O=c1[nH]c(C[NH2+]Cc2cc(F)cc(F)c2O)nc2c1COCC2 ZINC001331961578 865463420 /nfs/dbraw/zinc/46/34/20/865463420.db2.gz XCEAQEODOUXZLS-UHFFFAOYSA-N 1 2 323.299 1.529 20 10 DDCDLO O=C(c1ccco1)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272022 871027411 /nfs/dbraw/zinc/02/74/11/871027411.db2.gz HJRRPUUVKKXXMX-UHFFFAOYSA-N 1 2 302.330 1.649 20 10 DDCDLO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC001357361667 879932762 /nfs/dbraw/zinc/93/27/62/879932762.db2.gz LFKANWIKIJCIDF-ZDUSSCGKSA-N 1 2 313.348 1.122 20 10 DDCDLO O=C([C@H]1CC12C[NH+](Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001276915169 881077487 /nfs/dbraw/zinc/07/74/87/881077487.db2.gz YWEXFPCVISTCDT-CYBMUJFWSA-N 1 2 318.373 1.474 20 10 DDCDLO OCCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237808106 889865120 /nfs/dbraw/zinc/86/51/20/889865120.db2.gz QPYGZONDLWNYBI-UHFFFAOYSA-N 1 2 302.777 1.685 20 10 DDCDLO COC(=O)Cc1ccc(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001249218481 893876373 /nfs/dbraw/zinc/87/63/73/893876373.db2.gz XHDGPHOVNXBISH-UHFFFAOYSA-N 1 2 301.346 1.320 20 10 DDCDLO COC(=O)Cc1ccc(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001249218481 893876389 /nfs/dbraw/zinc/87/63/89/893876389.db2.gz XHDGPHOVNXBISH-UHFFFAOYSA-N 1 2 301.346 1.320 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000091864532 193120187 /nfs/dbraw/zinc/12/01/87/193120187.db2.gz KOGODHQSCPTIFN-AWEZNQCLSA-N 1 2 320.412 1.881 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000091864532 193120189 /nfs/dbraw/zinc/12/01/89/193120189.db2.gz KOGODHQSCPTIFN-AWEZNQCLSA-N 1 2 320.412 1.881 20 10 DDCDLO Cn1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000289346393 131376669 /nfs/dbraw/zinc/37/66/69/131376669.db2.gz KDZARUNVIIIXBF-OAHLLOKOSA-N 1 2 302.378 1.702 20 10 DDCDLO Cn1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000289346393 131376670 /nfs/dbraw/zinc/37/66/70/131376670.db2.gz KDZARUNVIIIXBF-OAHLLOKOSA-N 1 2 302.378 1.702 20 10 DDCDLO CCn1cc[nH+]c1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000296340122 131957015 /nfs/dbraw/zinc/95/70/15/131957015.db2.gz NAORFSRSXBTHDC-UHFFFAOYSA-N 1 2 301.394 1.968 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000152686417 407669867 /nfs/dbraw/zinc/66/98/67/407669867.db2.gz YUSVYWDMZYJAPG-CQSZACIVSA-N 1 2 302.330 1.994 20 10 DDCDLO O=C(C[N@@H+]1CCc2sccc2C1)NCc1ccc(O)c(O)c1 ZINC000159058299 408381290 /nfs/dbraw/zinc/38/12/90/408381290.db2.gz LRWQIINZRQBZAG-UHFFFAOYSA-N 1 2 318.398 1.834 20 10 DDCDLO O=C(C[N@H+]1CCc2sccc2C1)NCc1ccc(O)c(O)c1 ZINC000159058299 408381295 /nfs/dbraw/zinc/38/12/95/408381295.db2.gz LRWQIINZRQBZAG-UHFFFAOYSA-N 1 2 318.398 1.834 20 10 DDCDLO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278227621 409077207 /nfs/dbraw/zinc/07/72/07/409077207.db2.gz MJQZUMWNIOSPIR-UHFFFAOYSA-N 1 2 311.338 1.267 20 10 DDCDLO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278227621 409077211 /nfs/dbraw/zinc/07/72/11/409077211.db2.gz MJQZUMWNIOSPIR-UHFFFAOYSA-N 1 2 311.338 1.267 20 10 DDCDLO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000280192786 409267429 /nfs/dbraw/zinc/26/74/29/409267429.db2.gz AWYVPJGHGLGORS-AXFHLTTASA-N 1 2 301.333 1.966 20 10 DDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000367269335 418577763 /nfs/dbraw/zinc/57/77/63/418577763.db2.gz GICXRYCYBCXDQN-QGZVFWFLSA-N 1 2 317.433 1.406 20 10 DDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000367269335 418577766 /nfs/dbraw/zinc/57/77/66/418577766.db2.gz GICXRYCYBCXDQN-QGZVFWFLSA-N 1 2 317.433 1.406 20 10 DDCDLO Cn1nnnc1N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000371514100 418796818 /nfs/dbraw/zinc/79/68/18/418796818.db2.gz KJDZAQUWKSNALC-UHFFFAOYSA-N 1 2 322.800 1.328 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3ccnn3C)CC2)cc1F ZINC000130264372 524429866 /nfs/dbraw/zinc/42/98/66/524429866.db2.gz RURLONYXEPBQRG-UHFFFAOYSA-N 1 2 304.369 1.890 20 10 DDCDLO C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000782297278 698705784 /nfs/dbraw/zinc/70/57/84/698705784.db2.gz YNYYYCWIIZYNFU-OGOUPESXSA-N 1 2 307.346 1.375 20 10 DDCDLO CC(C)(C(N)=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769503397 701247801 /nfs/dbraw/zinc/24/78/01/701247801.db2.gz JXRFWHJSMVFHPO-UHFFFAOYSA-N 1 2 311.813 1.427 20 10 DDCDLO C[C@H]1[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000839507436 701719627 /nfs/dbraw/zinc/71/96/27/701719627.db2.gz IKDXVYIFIVMENB-CQSZACIVSA-N 1 2 319.449 1.868 20 10 DDCDLO C[C@H]1[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000839507436 701719633 /nfs/dbraw/zinc/71/96/33/701719633.db2.gz IKDXVYIFIVMENB-CQSZACIVSA-N 1 2 319.449 1.868 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000857226249 704565958 /nfs/dbraw/zinc/56/59/58/704565958.db2.gz JAYUETDJVOHKSC-IEBWSBKVSA-N 1 2 314.477 1.752 20 10 DDCDLO CN(C)c1cc(F)c(C[NH2+][C@H](CO)c2ccnn2C)cc1F ZINC000858177201 704673845 /nfs/dbraw/zinc/67/38/45/704673845.db2.gz JSFKHIPPFDPAJR-CYBMUJFWSA-N 1 2 310.348 1.588 20 10 DDCDLO COC1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883031303 707905293 /nfs/dbraw/zinc/90/52/93/707905293.db2.gz QWCZHDKRRSJUPH-UHFFFAOYSA-N 1 2 300.349 1.871 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530505 711166253 /nfs/dbraw/zinc/16/62/53/711166253.db2.gz JBBVNJNCHQVRNC-JSGCOSHPSA-N 1 2 309.362 1.208 20 10 DDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894530505 711166255 /nfs/dbraw/zinc/16/62/55/711166255.db2.gz JBBVNJNCHQVRNC-JSGCOSHPSA-N 1 2 309.362 1.208 20 10 DDCDLO CC1(C)[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CS1(=O)=O ZINC000895980821 711659707 /nfs/dbraw/zinc/65/97/07/711659707.db2.gz AJXGSKNEGSXQTP-JTQLQIEISA-N 1 2 307.774 1.850 20 10 DDCDLO CCn1nnc2c1CC[N@H+](Cc1ccccc1O)[C@@H]2COC ZINC001203551660 751196513 /nfs/dbraw/zinc/19/65/13/751196513.db2.gz JQZLTLYXEMJBLM-CQSZACIVSA-N 1 2 302.378 1.749 20 10 DDCDLO CCn1nnc2c1CC[N@@H+](Cc1ccccc1O)[C@@H]2COC ZINC001203551660 751196516 /nfs/dbraw/zinc/19/65/16/751196516.db2.gz JQZLTLYXEMJBLM-CQSZACIVSA-N 1 2 302.378 1.749 20 10 DDCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878873 870813071 /nfs/dbraw/zinc/81/30/71/870813071.db2.gz WRBNEVMISYJHCC-CQSZACIVSA-N 1 2 317.389 1.967 20 10 DDCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878873 870813082 /nfs/dbraw/zinc/81/30/82/870813082.db2.gz WRBNEVMISYJHCC-CQSZACIVSA-N 1 2 317.389 1.967 20 10 DDCDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204345792 871066473 /nfs/dbraw/zinc/06/64/73/871066473.db2.gz XQGMCOHTWLUACV-ZDUSSCGKSA-N 1 2 322.405 1.987 20 10 DDCDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204345792 871066482 /nfs/dbraw/zinc/06/64/82/871066482.db2.gz XQGMCOHTWLUACV-ZDUSSCGKSA-N 1 2 322.405 1.987 20 10 DDCDLO Oc1cc(O)c(CN2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)cc1O ZINC001276516589 873123229 /nfs/dbraw/zinc/12/32/29/873123229.db2.gz IYZWUNSSHNSUPV-UHFFFAOYSA-N 1 2 315.373 1.449 20 10 DDCDLO CCOc1ccc(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001237042771 889477639 /nfs/dbraw/zinc/47/76/39/889477639.db2.gz HFZZSNCRECMSCS-AWEZNQCLSA-N 1 2 306.406 1.696 20 10 DDCDLO C[C@]1(CO)CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808274 889863927 /nfs/dbraw/zinc/86/39/27/889863927.db2.gz SPLKJYXJMWGHCX-GXTWGEPZSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000280192789 299302578 /nfs/dbraw/zinc/30/25/78/299302578.db2.gz AWYVPJGHGLGORS-DCAQKATOSA-N 1 2 301.333 1.966 20 10 DDCDLO Cc1ccc[nH+]c1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000060860945 184156856 /nfs/dbraw/zinc/15/68/56/184156856.db2.gz IUVRWEGZNPEKQF-XFFZJAGNSA-N 1 2 318.402 1.585 20 10 DDCDLO O=C(CCn1cc[nH+]c1)NCc1ccc(N2CCOCC2)cc1 ZINC000299658607 132115217 /nfs/dbraw/zinc/11/52/17/132115217.db2.gz MRKKCCAPBSSCLD-UHFFFAOYSA-N 1 2 314.389 1.426 20 10 DDCDLO CN1C(=O)C(=CNc2ccc([NH+](C)C)cc2)C(=O)N(C)C1=O ZINC000120996648 408150937 /nfs/dbraw/zinc/15/09/37/408150937.db2.gz KAMQXLPCAOGQCZ-UHFFFAOYSA-N 1 2 302.334 1.099 20 10 DDCDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177712743 408693795 /nfs/dbraw/zinc/69/37/95/408693795.db2.gz PKZGSSZCZXBVJK-CQSZACIVSA-N 1 2 310.369 1.908 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000292968156 409047961 /nfs/dbraw/zinc/04/79/61/409047961.db2.gz DGFXCGLNSSLBCB-MRXNPFEDSA-N 1 2 305.422 1.398 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000292968156 409047962 /nfs/dbraw/zinc/04/79/62/409047962.db2.gz DGFXCGLNSSLBCB-MRXNPFEDSA-N 1 2 305.422 1.398 20 10 DDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)F)CC2)cc1 ZINC000278425896 409083912 /nfs/dbraw/zinc/08/39/12/409083912.db2.gz JFBCGQBXJSMQLP-UHFFFAOYSA-N 1 2 313.348 1.199 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000295343363 409444124 /nfs/dbraw/zinc/44/41/24/409444124.db2.gz MUPCQOYMJVNEFV-UHFFFAOYSA-N 1 2 323.755 1.837 20 10 DDCDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000295343363 409444127 /nfs/dbraw/zinc/44/41/27/409444127.db2.gz MUPCQOYMJVNEFV-UHFFFAOYSA-N 1 2 323.755 1.837 20 10 DDCDLO CC(=O)c1cc(F)cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000362289331 418751987 /nfs/dbraw/zinc/75/19/87/418751987.db2.gz YMVNRJPWMURJLQ-HNNXBMFYSA-N 1 2 322.380 1.640 20 10 DDCDLO COc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000161226529 526001263 /nfs/dbraw/zinc/00/12/63/526001263.db2.gz LQZCZWRJBZHMES-NSHDSACASA-N 1 2 301.346 1.476 20 10 DDCDLO O=C(CN1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCCC1 ZINC000179888059 526772593 /nfs/dbraw/zinc/77/25/93/526772593.db2.gz AOTDQNVRLGISLH-UHFFFAOYSA-N 1 2 321.396 1.271 20 10 DDCDLO CCOC(=O)C[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000092399535 696594463 /nfs/dbraw/zinc/59/44/63/696594463.db2.gz MCLDEEGOTLFEOR-UHFFFAOYSA-N 1 2 306.406 1.908 20 10 DDCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000092399535 696594465 /nfs/dbraw/zinc/59/44/65/696594465.db2.gz MCLDEEGOTLFEOR-UHFFFAOYSA-N 1 2 306.406 1.908 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000774868605 697936308 /nfs/dbraw/zinc/93/63/08/697936308.db2.gz GJXYHTDYZWHBPY-LLVKDONJSA-N 1 2 321.333 1.116 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000774868605 697936313 /nfs/dbraw/zinc/93/63/13/697936313.db2.gz GJXYHTDYZWHBPY-LLVKDONJSA-N 1 2 321.333 1.116 20 10 DDCDLO COc1cc(O)c(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1OC ZINC000775702462 698024266 /nfs/dbraw/zinc/02/42/66/698024266.db2.gz WLXAVNHZWDIWLC-SNVBAGLBSA-N 1 2 317.407 1.274 20 10 DDCDLO COc1cc(O)c(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1OC ZINC000775702462 698024270 /nfs/dbraw/zinc/02/42/70/698024270.db2.gz WLXAVNHZWDIWLC-SNVBAGLBSA-N 1 2 317.407 1.274 20 10 DDCDLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776213086 698081294 /nfs/dbraw/zinc/08/12/94/698081294.db2.gz PXMRATQRGHUDSL-SNVBAGLBSA-N 1 2 307.774 1.852 20 10 DDCDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000779215024 698402478 /nfs/dbraw/zinc/40/24/78/698402478.db2.gz GGMHCYKYZBFCKO-ZDUSSCGKSA-N 1 2 322.405 1.852 20 10 DDCDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000779215024 698402480 /nfs/dbraw/zinc/40/24/80/698402480.db2.gz GGMHCYKYZBFCKO-ZDUSSCGKSA-N 1 2 322.405 1.852 20 10 DDCDLO CC[N@H+](Cc1cn(C)nn1)Cc1cc(OC)c(OC)cc1O ZINC000781581724 698632445 /nfs/dbraw/zinc/63/24/45/698632445.db2.gz JVHNJNSGTHJANV-UHFFFAOYSA-N 1 2 306.366 1.560 20 10 DDCDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cc(OC)c(OC)cc1O ZINC000781581724 698632448 /nfs/dbraw/zinc/63/24/48/698632448.db2.gz JVHNJNSGTHJANV-UHFFFAOYSA-N 1 2 306.366 1.560 20 10 DDCDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1=CC(=O)CS1 ZINC000732285952 699553928 /nfs/dbraw/zinc/55/39/28/699553928.db2.gz LDYNKLRTPDREQY-UHFFFAOYSA-N 1 2 322.390 1.235 20 10 DDCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768446185 701177653 /nfs/dbraw/zinc/17/76/53/701177653.db2.gz KPWRKALHUYIYLP-ZDUSSCGKSA-N 1 2 309.362 1.592 20 10 DDCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768446185 701177654 /nfs/dbraw/zinc/17/76/54/701177654.db2.gz KPWRKALHUYIYLP-ZDUSSCGKSA-N 1 2 309.362 1.592 20 10 DDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769479404 701246668 /nfs/dbraw/zinc/24/66/68/701246668.db2.gz INGGJSUYWQLLPW-HXUWFJFHSA-N 1 2 316.854 1.542 20 10 DDCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nnnn2C)cc1 ZINC000844401454 703026468 /nfs/dbraw/zinc/02/64/68/703026468.db2.gz LWSQKIHHETZHOX-LBPRGKRZSA-N 1 2 304.398 1.348 20 10 DDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nnnn2C)cc1 ZINC000844401454 703026471 /nfs/dbraw/zinc/02/64/71/703026471.db2.gz LWSQKIHHETZHOX-LBPRGKRZSA-N 1 2 304.398 1.348 20 10 DDCDLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)cc(F)c1O ZINC000850481369 703733414 /nfs/dbraw/zinc/73/34/14/703733414.db2.gz KAGCEFSXYKCHQQ-LDWIPMOCSA-N 1 2 317.158 1.833 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825773261 705729362 /nfs/dbraw/zinc/72/93/62/705729362.db2.gz BWPTUEKJYJPGMG-LLVKDONJSA-N 1 2 303.811 1.973 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825773261 705729364 /nfs/dbraw/zinc/72/93/64/705729364.db2.gz BWPTUEKJYJPGMG-LLVKDONJSA-N 1 2 303.811 1.973 20 10 DDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864949701 706309091 /nfs/dbraw/zinc/30/90/91/706309091.db2.gz MRDXNRGSRSNXSW-MRXNPFEDSA-N 1 2 316.405 1.946 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c1O ZINC000880528193 707005114 /nfs/dbraw/zinc/00/51/14/707005114.db2.gz ZANSGUNCMAUFRU-XHDPSFHLSA-N 1 2 320.364 1.834 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c1O ZINC000880528193 707005115 /nfs/dbraw/zinc/00/51/15/707005115.db2.gz ZANSGUNCMAUFRU-XHDPSFHLSA-N 1 2 320.364 1.834 20 10 DDCDLO CCO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000926961484 712923178 /nfs/dbraw/zinc/92/31/78/712923178.db2.gz PFBAMEOMSIWLRT-WCQYABFASA-N 1 2 311.382 1.918 20 10 DDCDLO C[C@@H]1CN(CCO)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053030 707163029 /nfs/dbraw/zinc/16/30/29/707163029.db2.gz AEOFAVLCLIHNKP-YIEVGGLXSA-N 1 2 303.450 1.764 20 10 DDCDLO C[C@@H]1CN(CCO)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053030 707163031 /nfs/dbraw/zinc/16/30/31/707163031.db2.gz AEOFAVLCLIHNKP-YIEVGGLXSA-N 1 2 303.450 1.764 20 10 DDCDLO COc1ccc(C[NH+]2CCN(C(C)(C)CO)CC2)c(O)c1OC ZINC000892064030 710364213 /nfs/dbraw/zinc/36/42/13/710364213.db2.gz UPHHQYFLFWZYNN-UHFFFAOYSA-N 1 2 324.421 1.298 20 10 DDCDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894025500 710933230 /nfs/dbraw/zinc/93/32/30/710933230.db2.gz CJCRZBNZMMFMSV-BDAKNGLRSA-N 1 2 307.362 1.924 20 10 DDCDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894025500 710933233 /nfs/dbraw/zinc/93/32/33/710933233.db2.gz CJCRZBNZMMFMSV-BDAKNGLRSA-N 1 2 307.362 1.924 20 10 DDCDLO Cc1nc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)n[nH]1 ZINC000895265218 711471269 /nfs/dbraw/zinc/47/12/69/711471269.db2.gz LESSKVVUKQTHCA-UHFFFAOYSA-N 1 2 301.394 1.445 20 10 DDCDLO CC1(C)[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CS1(=O)=O ZINC000895983521 711660188 /nfs/dbraw/zinc/66/01/88/711660188.db2.gz OASFSMPNYAPDPQ-NSHDSACASA-N 1 2 307.774 1.850 20 10 DDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000925615654 714900584 /nfs/dbraw/zinc/90/05/84/714900584.db2.gz HGTSRYNOXJSJIM-AWEZNQCLSA-N 1 2 319.405 1.528 20 10 DDCDLO NC(=O)N=Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC001135409280 771490646 /nfs/dbraw/zinc/49/06/46/771490646.db2.gz WROQATBZZYDHFU-UHFFFAOYSA-N 1 2 300.322 1.866 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2F)CC1 ZINC001118018716 780991007 /nfs/dbraw/zinc/99/10/07/780991007.db2.gz JEUGOSRVSHCXOZ-INIZCTEOSA-N 1 2 320.456 1.667 20 10 DDCDLO O=S1CC2(C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC001140283438 860612661 /nfs/dbraw/zinc/61/26/61/860612661.db2.gz UWBDHTDIIAMVEM-UHFFFAOYSA-N 1 2 320.458 1.212 20 10 DDCDLO Oc1ccc(O)c(C[NH+]2CCN(c3nccnc3Cl)CC2)c1 ZINC001141156618 860798075 /nfs/dbraw/zinc/79/80/75/860798075.db2.gz OTNAAMYNYWHHCP-UHFFFAOYSA-N 1 2 320.780 1.863 20 10 DDCDLO O=C(CNC(=O)c1cccc2[nH+]ccn21)c1ccc(O)c(O)c1 ZINC001154525558 861175786 /nfs/dbraw/zinc/17/57/86/861175786.db2.gz MHKRMJWVMJJDSH-UHFFFAOYSA-N 1 2 311.297 1.358 20 10 DDCDLO C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2F)CC1 ZINC001331419301 865074293 /nfs/dbraw/zinc/07/42/93/865074293.db2.gz PUAIMSNXFVNYPH-MRXNPFEDSA-N 1 2 306.429 1.404 20 10 DDCDLO NC(=O)[C@H]1CCCN1c1cc(NCc2ccc(N)cc2)[nH+]cn1 ZINC001162787527 867822280 /nfs/dbraw/zinc/82/22/80/867822280.db2.gz MLQNKMNFCOXMPG-CYBMUJFWSA-N 1 2 312.377 1.125 20 10 DDCDLO NC(=O)[C@H]1CCCN1c1cc(NCc2ccc(N)cc2)nc[nH+]1 ZINC001162787527 867822287 /nfs/dbraw/zinc/82/22/87/867822287.db2.gz MLQNKMNFCOXMPG-CYBMUJFWSA-N 1 2 312.377 1.125 20 10 DDCDLO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC)c1O ZINC001203617373 870675008 /nfs/dbraw/zinc/67/50/08/870675008.db2.gz PASRDMVFTVPLOW-AWEZNQCLSA-N 1 2 323.389 1.945 20 10 DDCDLO CCOc1cccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC)c1O ZINC001203617373 870675018 /nfs/dbraw/zinc/67/50/18/870675018.db2.gz PASRDMVFTVPLOW-AWEZNQCLSA-N 1 2 323.389 1.945 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203937270 870843592 /nfs/dbraw/zinc/84/35/92/870843592.db2.gz SOAPAZBWURGWJZ-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203937270 870843609 /nfs/dbraw/zinc/84/36/09/870843609.db2.gz SOAPAZBWURGWJZ-INIZCTEOSA-N 1 2 306.406 1.907 20 10 DDCDLO COc1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cc(O)c1O ZINC001204345209 871067103 /nfs/dbraw/zinc/06/71/03/871067103.db2.gz OKNUVDKIZWFNTE-CYBMUJFWSA-N 1 2 308.378 1.013 20 10 DDCDLO CNc1cc(CNC(=O)NCc2cccc(OC)c2O)cc[nH+]1 ZINC001347188395 874048566 /nfs/dbraw/zinc/04/85/66/874048566.db2.gz WRQUFOYZROUYMN-UHFFFAOYSA-N 1 2 316.361 1.837 20 10 DDCDLO Cc1ccc(C[N@H+]2CCc3c([nH]nc3C(=O)N(C)C)C2)c(O)c1 ZINC001277568728 885883737 /nfs/dbraw/zinc/88/37/37/885883737.db2.gz ODCHFJJZPSOMMX-UHFFFAOYSA-N 1 2 314.389 1.684 20 10 DDCDLO Cc1ccc(C[N@@H+]2CCc3c([nH]nc3C(=O)N(C)C)C2)c(O)c1 ZINC001277568728 885883758 /nfs/dbraw/zinc/88/37/58/885883758.db2.gz ODCHFJJZPSOMMX-UHFFFAOYSA-N 1 2 314.389 1.684 20 10 DDCDLO CNC(=O)C[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401676 886334646 /nfs/dbraw/zinc/33/46/46/886334646.db2.gz BPMWUTODNRWMOU-UHFFFAOYSA-N 1 2 303.362 1.143 20 10 DDCDLO CNC(=O)C[N@@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401676 886334662 /nfs/dbraw/zinc/33/46/62/886334662.db2.gz BPMWUTODNRWMOU-UHFFFAOYSA-N 1 2 303.362 1.143 20 10 DDCDLO Oc1cc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc(O)c1O ZINC001233012170 886725897 /nfs/dbraw/zinc/72/58/97/886725897.db2.gz JBWWCMAXHROVGZ-WOSRLPQWSA-N 1 2 321.373 1.429 20 10 DDCDLO Oc1cc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc(O)c1O ZINC001233012170 886725906 /nfs/dbraw/zinc/72/59/06/886725906.db2.gz JBWWCMAXHROVGZ-WOSRLPQWSA-N 1 2 321.373 1.429 20 10 DDCDLO Oc1cc(C[N@H+]2CCOC[C@@H](O)C2)c(O)cc1Br ZINC001236769989 889346030 /nfs/dbraw/zinc/34/60/30/889346030.db2.gz ZJIYRTYQCXUKJN-VIFPVBQESA-N 1 2 318.167 1.053 20 10 DDCDLO Oc1cc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)cc1Br ZINC001236769989 889346041 /nfs/dbraw/zinc/34/60/41/889346041.db2.gz ZJIYRTYQCXUKJN-VIFPVBQESA-N 1 2 318.167 1.053 20 10 DDCDLO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)CN1 ZINC000092105882 353845267 /nfs/dbraw/zinc/84/52/67/353845267.db2.gz BLWAISMSIJGESU-YPMHNXCESA-N 1 2 318.373 1.612 20 10 DDCDLO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)CN1 ZINC000092105882 353845269 /nfs/dbraw/zinc/84/52/69/353845269.db2.gz BLWAISMSIJGESU-YPMHNXCESA-N 1 2 318.373 1.612 20 10 DDCDLO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](C)[NH+]1CCOCC1 ZINC000105301144 194095705 /nfs/dbraw/zinc/09/57/05/194095705.db2.gz NMMIOSFULPDZHN-ZIAGYGMSSA-N 1 2 321.421 1.643 20 10 DDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278253369 130675366 /nfs/dbraw/zinc/67/53/66/130675366.db2.gz PNXPYWRBVKLASL-JTQLQIEISA-N 1 2 309.322 1.019 20 10 DDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278253369 130675368 /nfs/dbraw/zinc/67/53/68/130675368.db2.gz PNXPYWRBVKLASL-JTQLQIEISA-N 1 2 309.322 1.019 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1F ZINC000084867018 407095515 /nfs/dbraw/zinc/09/55/15/407095515.db2.gz PVMPVQDFRYGERE-LBPRGKRZSA-N 1 2 321.396 1.623 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000170716539 407483850 /nfs/dbraw/zinc/48/38/50/407483850.db2.gz PKNOSJUNZSSSRJ-UHFFFAOYSA-N 1 2 320.437 1.226 20 10 DDCDLO COc1cccc(CNc2nc3c(cnn3C)c(N)[nH+]2)c1O ZINC000302877995 410885453 /nfs/dbraw/zinc/88/54/53/410885453.db2.gz GYGQLYVVZWCCNH-UHFFFAOYSA-N 1 2 300.322 1.272 20 10 DDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@]1(C)CO ZINC000529667983 421550476 /nfs/dbraw/zinc/55/04/76/421550476.db2.gz CEUCDUKQELIHRQ-GASCZTMLSA-N 1 2 317.788 1.998 20 10 DDCDLO C[C@]1(CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@]1(C)CO ZINC000529667983 421550479 /nfs/dbraw/zinc/55/04/79/421550479.db2.gz CEUCDUKQELIHRQ-GASCZTMLSA-N 1 2 317.788 1.998 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000898 337083700 /nfs/dbraw/zinc/08/37/00/337083700.db2.gz UGOHSSQFXUBGBM-NWDGAFQWSA-N 1 2 323.345 1.273 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000360000898 337083701 /nfs/dbraw/zinc/08/37/01/337083701.db2.gz UGOHSSQFXUBGBM-NWDGAFQWSA-N 1 2 323.345 1.273 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000773887208 697818531 /nfs/dbraw/zinc/81/85/31/697818531.db2.gz DNBSIEBSRBHYFD-HOTGVXAUSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000773887208 697818535 /nfs/dbraw/zinc/81/85/35/697818535.db2.gz DNBSIEBSRBHYFD-HOTGVXAUSA-N 1 2 306.406 1.641 20 10 DDCDLO Cc1cn2cc(NC(=O)C(=O)NCc3ccccc3O)ccc2[nH+]1 ZINC000774198877 697854356 /nfs/dbraw/zinc/85/43/56/697854356.db2.gz YRVICXDOMOFYMG-UHFFFAOYSA-N 1 2 324.340 1.603 20 10 DDCDLO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776213084 698081275 /nfs/dbraw/zinc/08/12/75/698081275.db2.gz PXMRATQRGHUDSL-JTQLQIEISA-N 1 2 307.774 1.852 20 10 DDCDLO COC[C@H](CCO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745977 699276745 /nfs/dbraw/zinc/27/67/45/699276745.db2.gz QALPHFHMKBVNDF-JTQLQIEISA-N 1 2 322.174 1.781 20 10 DDCDLO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H](C)[NH+]1CCOCC1 ZINC000729607234 699483240 /nfs/dbraw/zinc/48/32/40/699483240.db2.gz WVOXBZCAKWQSIJ-CHWSQXEVSA-N 1 2 307.394 1.301 20 10 DDCDLO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000793279480 699746351 /nfs/dbraw/zinc/74/63/51/699746351.db2.gz HGDJVFFXYNOPHZ-UHFFFAOYSA-N 1 2 307.774 1.852 20 10 DDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754739120 700523597 /nfs/dbraw/zinc/52/35/97/700523597.db2.gz JYSRQZBRCWKYCM-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754739120 700523601 /nfs/dbraw/zinc/52/36/01/700523601.db2.gz JYSRQZBRCWKYCM-CYBMUJFWSA-N 1 2 309.362 1.473 20 10 DDCDLO C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[N@@H+]1CCO ZINC000816574570 702116494 /nfs/dbraw/zinc/11/64/94/702116494.db2.gz MKQOIRAJAPYGED-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[N@H+]1CCO ZINC000816574570 702116496 /nfs/dbraw/zinc/11/64/96/702116496.db2.gz MKQOIRAJAPYGED-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847695902 703454001 /nfs/dbraw/zinc/45/40/01/703454001.db2.gz IREVISUQXMCXHE-GHMZBOCLSA-N 1 2 303.362 1.747 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847695902 703454002 /nfs/dbraw/zinc/45/40/02/703454002.db2.gz IREVISUQXMCXHE-GHMZBOCLSA-N 1 2 303.362 1.747 20 10 DDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850361926 703727198 /nfs/dbraw/zinc/72/71/98/703727198.db2.gz XSWQLIHKPACEDR-GXSJLCMTSA-N 1 2 323.773 1.086 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000858140384 704669835 /nfs/dbraw/zinc/66/98/35/704669835.db2.gz CKVOHFPSSNULNR-ZDUSSCGKSA-N 1 2 307.394 1.221 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000830791040 706580312 /nfs/dbraw/zinc/58/03/12/706580312.db2.gz NFKBWAAQKGHCHW-LLVKDONJSA-N 1 2 318.304 1.925 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000891691145 710267698 /nfs/dbraw/zinc/26/76/98/710267698.db2.gz LYKGIPTXMCCCQW-UHFFFAOYSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000891691145 710267700 /nfs/dbraw/zinc/26/77/00/710267700.db2.gz LYKGIPTXMCCCQW-UHFFFAOYSA-N 1 2 309.362 1.937 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccccc1O ZINC000915517958 713422113 /nfs/dbraw/zinc/42/21/13/713422113.db2.gz NJKCORTWEYCOOR-CQSZACIVSA-N 1 2 307.394 1.302 20 10 DDCDLO Cn1cnnc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001199197457 747737489 /nfs/dbraw/zinc/73/74/89/747737489.db2.gz FRJCYAMSWFFYCT-UHFFFAOYSA-N 1 2 305.357 1.081 20 10 DDCDLO C[C@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)n1cc[nH+]c1 ZINC001177925773 778787821 /nfs/dbraw/zinc/78/78/21/778787821.db2.gz QTWNRORFIOZWET-LLVKDONJSA-N 1 2 301.346 1.830 20 10 DDCDLO OC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1O ZINC001235299997 846406424 /nfs/dbraw/zinc/40/64/24/846406424.db2.gz WIEWAWNLLIIMPG-KCJUWKMLSA-N 1 2 320.158 1.079 20 10 DDCDLO OC[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1O ZINC001235299997 846406429 /nfs/dbraw/zinc/40/64/29/846406429.db2.gz WIEWAWNLLIIMPG-KCJUWKMLSA-N 1 2 320.158 1.079 20 10 DDCDLO COCCOCN1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276359927 855715756 /nfs/dbraw/zinc/71/57/56/855715756.db2.gz NOFXVMWAPZOZIA-UHFFFAOYSA-N 1 2 310.369 1.412 20 10 DDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139134103 860303100 /nfs/dbraw/zinc/30/31/00/860303100.db2.gz XABAVTCSJOTYEP-GFCCVEGCSA-N 1 2 316.357 1.517 20 10 DDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139134103 860303107 /nfs/dbraw/zinc/30/31/07/860303107.db2.gz XABAVTCSJOTYEP-GFCCVEGCSA-N 1 2 316.357 1.517 20 10 DDCDLO C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328676240 863142632 /nfs/dbraw/zinc/14/26/32/863142632.db2.gz AUGKCQNSXWPGLS-AWEZNQCLSA-N 1 2 308.445 1.665 20 10 DDCDLO COc1ccc(N2CC3(CC[N@@H+]3CC(=O)N(C)C)C2)c(C)c1 ZINC001277019377 881681159 /nfs/dbraw/zinc/68/11/59/881681159.db2.gz ZUELGBIWDVWMCF-UHFFFAOYSA-N 1 2 303.406 1.356 20 10 DDCDLO COc1ccc(N2CC3(CC[N@H+]3CC(=O)N(C)C)C2)c(C)c1 ZINC001277019377 881681165 /nfs/dbraw/zinc/68/11/65/881681165.db2.gz ZUELGBIWDVWMCF-UHFFFAOYSA-N 1 2 303.406 1.356 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)nc3)CC2)cc1 ZINC001206380918 872270164 /nfs/dbraw/zinc/27/01/64/872270164.db2.gz FROUMVZESHBPHG-UHFFFAOYSA-N 1 2 314.389 1.816 20 10 DDCDLO CNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC001355215897 878465735 /nfs/dbraw/zinc/46/57/35/878465735.db2.gz LYBHHPIHDXKBAN-UHFFFAOYSA-N 1 2 313.405 1.991 20 10 DDCDLO CNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC001355215897 878465746 /nfs/dbraw/zinc/46/57/46/878465746.db2.gz LYBHHPIHDXKBAN-UHFFFAOYSA-N 1 2 313.405 1.991 20 10 DDCDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079427 886775901 /nfs/dbraw/zinc/77/59/01/886775901.db2.gz BVQHQFOWMCNAIK-JTQLQIEISA-N 1 2 301.289 1.434 20 10 DDCDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC001236752354 889331789 /nfs/dbraw/zinc/33/17/89/889331789.db2.gz OUKSMIPKFNQNNE-LBPRGKRZSA-N 1 2 309.362 1.937 20 10 DDCDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC001236752354 889331800 /nfs/dbraw/zinc/33/18/00/889331800.db2.gz OUKSMIPKFNQNNE-LBPRGKRZSA-N 1 2 309.362 1.937 20 10 DDCDLO CN1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237052288 889485333 /nfs/dbraw/zinc/48/53/33/889485333.db2.gz VTOHTIRCPJKVOH-UHFFFAOYSA-N 1 2 318.295 1.607 20 10 DDCDLO CN1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237052288 889485337 /nfs/dbraw/zinc/48/53/37/889485337.db2.gz VTOHTIRCPJKVOH-UHFFFAOYSA-N 1 2 318.295 1.607 20 10 DDCDLO COCCN(CC[NH+]1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000081155795 353654564 /nfs/dbraw/zinc/65/45/64/353654564.db2.gz PLDSEBVQALXQIB-UHFFFAOYSA-N 1 2 324.421 1.489 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nc(CCOC)no2)c1 ZINC000093587488 407198992 /nfs/dbraw/zinc/19/89/92/407198992.db2.gz WKVDYDCXCOPKND-UHFFFAOYSA-N 1 2 321.377 1.995 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc(CCOC)no2)c1 ZINC000093587488 407198995 /nfs/dbraw/zinc/19/89/95/407198995.db2.gz WKVDYDCXCOPKND-UHFFFAOYSA-N 1 2 321.377 1.995 20 10 DDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271076490 407502901 /nfs/dbraw/zinc/50/29/01/407502901.db2.gz HGSFSHYUSDBXHO-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271076490 407502908 /nfs/dbraw/zinc/50/29/08/407502908.db2.gz HGSFSHYUSDBXHO-UHFFFAOYSA-N 1 2 317.407 1.276 20 10 DDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)c1O ZINC000271870995 407733998 /nfs/dbraw/zinc/73/39/98/407733998.db2.gz SESLRWQPONGGKU-LLVKDONJSA-N 1 2 312.797 1.379 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC(n2cc[nH+]c2)CC1 ZINC000276561433 408882915 /nfs/dbraw/zinc/88/29/15/408882915.db2.gz JAKDHCMXLMWUSK-UHFFFAOYSA-N 1 2 305.309 1.911 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184551 408824415 /nfs/dbraw/zinc/82/44/15/408824415.db2.gz IKNVFFSHALFIDD-LSDHHAIUSA-N 1 2 310.369 1.390 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184551 408824416 /nfs/dbraw/zinc/82/44/16/408824416.db2.gz IKNVFFSHALFIDD-LSDHHAIUSA-N 1 2 310.369 1.390 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c1 ZINC000276241497 408827025 /nfs/dbraw/zinc/82/70/25/408827025.db2.gz OGOLWBMFLMOGTJ-HUUCEWRRSA-N 1 2 309.362 1.289 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)c1 ZINC000276241497 408827026 /nfs/dbraw/zinc/82/70/26/408827026.db2.gz OGOLWBMFLMOGTJ-HUUCEWRRSA-N 1 2 309.362 1.289 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000282866159 409069691 /nfs/dbraw/zinc/06/96/91/409069691.db2.gz XRPDIFNJQYPTQM-GFCCVEGCSA-N 1 2 300.399 1.511 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000282866159 409069693 /nfs/dbraw/zinc/06/96/93/409069693.db2.gz XRPDIFNJQYPTQM-GFCCVEGCSA-N 1 2 300.399 1.511 20 10 DDCDLO CC(C)(CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCOCC1 ZINC000294908849 409305952 /nfs/dbraw/zinc/30/59/52/409305952.db2.gz SLFQVVNGKLVYQE-UHFFFAOYSA-N 1 2 312.341 1.078 20 10 DDCDLO COC1CCN(c2ccc(C[N@H+]3CC(=O)N[C@@H](C)C3)cc2)CC1 ZINC000296122673 409437548 /nfs/dbraw/zinc/43/75/48/409437548.db2.gz HVNGDGONCMXGHX-AWEZNQCLSA-N 1 2 317.433 1.622 20 10 DDCDLO COC1CCN(c2ccc(C[N@@H+]3CC(=O)N[C@@H](C)C3)cc2)CC1 ZINC000296122673 409437555 /nfs/dbraw/zinc/43/75/55/409437555.db2.gz HVNGDGONCMXGHX-AWEZNQCLSA-N 1 2 317.433 1.622 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366126329 418430895 /nfs/dbraw/zinc/43/08/95/418430895.db2.gz HMMLBDDSIAGQKH-GFCCVEGCSA-N 1 2 300.362 1.814 20 10 DDCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366126329 418430898 /nfs/dbraw/zinc/43/08/98/418430898.db2.gz HMMLBDDSIAGQKH-GFCCVEGCSA-N 1 2 300.362 1.814 20 10 DDCDLO COc1ccc(O)c(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1 ZINC000374811554 418564842 /nfs/dbraw/zinc/56/48/42/418564842.db2.gz YJDYSBGYQZJNMI-JTQLQIEISA-N 1 2 304.350 1.103 20 10 DDCDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000007489963 696027591 /nfs/dbraw/zinc/02/75/91/696027591.db2.gz YGROUFKSABIIFC-CQSZACIVSA-N 1 2 305.422 1.732 20 10 DDCDLO COc1cc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)c(O)cc1C ZINC000179443337 697437572 /nfs/dbraw/zinc/43/75/72/697437572.db2.gz FYDYWOOCDCTIPM-CQSZACIVSA-N 1 2 308.378 1.046 20 10 DDCDLO COc1cc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)c(O)cc1C ZINC000179443337 697437575 /nfs/dbraw/zinc/43/75/75/697437575.db2.gz FYDYWOOCDCTIPM-CQSZACIVSA-N 1 2 308.378 1.046 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777666311 698214536 /nfs/dbraw/zinc/21/45/36/698214536.db2.gz FMBUUFXFZMCDKV-CQSZACIVSA-N 1 2 313.405 1.763 20 10 DDCDLO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000795826967 699894711 /nfs/dbraw/zinc/89/47/11/699894711.db2.gz DFGQSHGZTYMXIX-DCAQKATOSA-N 1 2 301.333 1.966 20 10 DDCDLO CS(=O)(=O)NC1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000802654395 700415623 /nfs/dbraw/zinc/41/56/23/700415623.db2.gz IITFRGQAFFEQKF-UHFFFAOYSA-N 1 2 304.799 1.215 20 10 DDCDLO CC(=O)C(=O)COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000808520655 701521561 /nfs/dbraw/zinc/52/15/61/701521561.db2.gz WAFXSUPKIIBDGB-AWEZNQCLSA-N 1 2 321.348 1.739 20 10 DDCDLO CC(=O)C(=O)COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000808520655 701521563 /nfs/dbraw/zinc/52/15/63/701521563.db2.gz WAFXSUPKIIBDGB-AWEZNQCLSA-N 1 2 321.348 1.739 20 10 DDCDLO CN(C)c1[nH+]cc(/C=C2/SC(N3CCCCC3)=NC2=O)n1C ZINC000840712546 702217788 /nfs/dbraw/zinc/21/77/88/702217788.db2.gz DAVRQNWMJYKBMR-FMIVXFBMSA-N 1 2 319.434 1.942 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)cc1 ZINC000869142863 702477051 /nfs/dbraw/zinc/47/70/51/702477051.db2.gz QLQSBESZANELQP-OAHLLOKOSA-N 1 2 318.377 1.047 20 10 DDCDLO Cc1nc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc[nH+]1 ZINC000842271396 702693922 /nfs/dbraw/zinc/69/39/22/702693922.db2.gz ZFPCOTDLRWOQJF-UHFFFAOYSA-N 1 2 311.389 1.259 20 10 DDCDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000846310637 703263661 /nfs/dbraw/zinc/26/36/61/703263661.db2.gz OMUDUPFACXXWFF-UHFFFAOYSA-N 1 2 322.409 1.081 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000831924997 706804431 /nfs/dbraw/zinc/80/44/31/706804431.db2.gz QOZAPFBZEYMHEE-RAIGVLPGSA-N 1 2 315.373 1.682 20 10 DDCDLO CCOC(=O)C[N@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000823576011 705270024 /nfs/dbraw/zinc/27/00/24/705270024.db2.gz GRUHHDTWWZWHIY-UHFFFAOYSA-N 1 2 308.378 1.236 20 10 DDCDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000823576011 705270026 /nfs/dbraw/zinc/27/00/26/705270026.db2.gz GRUHHDTWWZWHIY-UHFFFAOYSA-N 1 2 308.378 1.236 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000824625261 705495668 /nfs/dbraw/zinc/49/56/68/705495668.db2.gz HWSOTHUMYKNQDG-LLVKDONJSA-N 1 2 316.195 1.656 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000824625261 705495666 /nfs/dbraw/zinc/49/56/66/705495666.db2.gz HWSOTHUMYKNQDG-LLVKDONJSA-N 1 2 316.195 1.656 20 10 DDCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c(F)ccc(O)c1O ZINC000825421328 705668340 /nfs/dbraw/zinc/66/83/40/705668340.db2.gz RSSPSWBMSQCKBA-UHFFFAOYSA-N 1 2 319.336 1.742 20 10 DDCDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCS1(=O)=O ZINC000862514495 705725409 /nfs/dbraw/zinc/72/54/09/705725409.db2.gz OFNDWGNYJNWBCU-RDDDGLTNSA-N 1 2 307.774 1.850 20 10 DDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876565540 705760326 /nfs/dbraw/zinc/76/03/26/705760326.db2.gz KXUDKRJRMNRXCQ-UHFFFAOYSA-N 1 2 306.406 1.643 20 10 DDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876565540 705760331 /nfs/dbraw/zinc/76/03/31/705760331.db2.gz KXUDKRJRMNRXCQ-UHFFFAOYSA-N 1 2 306.406 1.643 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608703 706158953 /nfs/dbraw/zinc/15/89/53/706158953.db2.gz VCCSRCAOABPJJE-ZJUUUORDSA-N 1 2 301.289 1.026 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877608703 706158955 /nfs/dbraw/zinc/15/89/55/706158955.db2.gz VCCSRCAOABPJJE-ZJUUUORDSA-N 1 2 301.289 1.026 20 10 DDCDLO COc1ccc(N2CC[NH+](Cc3cnc(N)cn3)CC2)cc1F ZINC000873209047 707769015 /nfs/dbraw/zinc/76/90/15/707769015.db2.gz HQGSHVHQMIPOSW-UHFFFAOYSA-N 1 2 317.368 1.529 20 10 DDCDLO C/C(=C\C(=O)NCc1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000899983212 709258060 /nfs/dbraw/zinc/25/80/60/709258060.db2.gz NWCQUZWHZVONEY-NTCAYCPXSA-N 1 2 317.433 1.647 20 10 DDCDLO OCc1cn([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894859831 711299094 /nfs/dbraw/zinc/29/90/94/711299094.db2.gz MHZGVRJKMTUXKX-ZDUSSCGKSA-N 1 2 324.331 1.591 20 10 DDCDLO OCc1cn([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894859831 711299099 /nfs/dbraw/zinc/29/90/99/711299099.db2.gz MHZGVRJKMTUXKX-ZDUSSCGKSA-N 1 2 324.331 1.591 20 10 DDCDLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464606 746850546 /nfs/dbraw/zinc/85/05/46/746850546.db2.gz VBYUVUIMHQKFIR-JTQLQIEISA-N 1 2 319.365 1.298 20 10 DDCDLO CN1C[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)OCC1=O ZINC001272616668 846413977 /nfs/dbraw/zinc/41/39/77/846413977.db2.gz NMNALKYHQKUHCR-OAHLLOKOSA-N 1 2 312.316 1.104 20 10 DDCDLO CN1C[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)OCC1=O ZINC001272616668 846413982 /nfs/dbraw/zinc/41/39/82/846413982.db2.gz NMNALKYHQKUHCR-OAHLLOKOSA-N 1 2 312.316 1.104 20 10 DDCDLO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001274233527 852081726 /nfs/dbraw/zinc/08/17/26/852081726.db2.gz DAAMDHBXXBDHOM-MRXNPFEDSA-N 1 2 324.808 1.726 20 10 DDCDLO CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001274233527 852081733 /nfs/dbraw/zinc/08/17/33/852081733.db2.gz DAAMDHBXXBDHOM-MRXNPFEDSA-N 1 2 324.808 1.726 20 10 DDCDLO CN1CCO[C@]2(CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001275775160 853726363 /nfs/dbraw/zinc/72/63/63/853726363.db2.gz WVVBUTWSUILDDL-MRXNPFEDSA-N 1 2 312.360 1.967 20 10 DDCDLO CN1CCO[C@]2(CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001275775160 853726367 /nfs/dbraw/zinc/72/63/67/853726367.db2.gz WVVBUTWSUILDDL-MRXNPFEDSA-N 1 2 312.360 1.967 20 10 DDCDLO COc1cc(O)c(CN2CCc3c([nH+]cn3C)C2)c(OC)c1 ZINC001141029427 860766913 /nfs/dbraw/zinc/76/69/13/860766913.db2.gz RHDKUZUJNJARCJ-UHFFFAOYSA-N 1 2 303.362 1.701 20 10 DDCDLO O=c1[nH]c(C[NH2+]Cc2cccc(Cl)c2O)nc2c1COCC2 ZINC001336758255 869126918 /nfs/dbraw/zinc/12/69/18/869126918.db2.gz RJZLNRQYXWVKMO-UHFFFAOYSA-N 1 2 321.764 1.904 20 10 DDCDLO C[C@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1O ZINC001336807833 869157282 /nfs/dbraw/zinc/15/72/82/869157282.db2.gz LHDSJAZKCAEFBY-QMMMGPOBSA-N 1 2 301.272 1.792 20 10 DDCDLO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001277193127 882931170 /nfs/dbraw/zinc/93/11/70/882931170.db2.gz YNRDQGVFONHEOX-ZUZCIYMTSA-N 1 2 316.317 1.084 20 10 DDCDLO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001277193127 882931183 /nfs/dbraw/zinc/93/11/83/882931183.db2.gz YNRDQGVFONHEOX-ZUZCIYMTSA-N 1 2 316.317 1.084 20 10 DDCDLO NC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001277483833 885180673 /nfs/dbraw/zinc/18/06/73/885180673.db2.gz CYQWSQBQYFQRIL-CYBMUJFWSA-N 1 2 304.325 1.160 20 10 DDCDLO NC(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001277483833 885180675 /nfs/dbraw/zinc/18/06/75/885180675.db2.gz CYQWSQBQYFQRIL-CYBMUJFWSA-N 1 2 304.325 1.160 20 10 DDCDLO Cc1cc(Cl)cc(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c1O ZINC001237686809 889806591 /nfs/dbraw/zinc/80/65/91/889806591.db2.gz PCUGGGCGPAAVNY-UHFFFAOYSA-N 1 2 323.824 1.312 20 10 DDCDLO CCOc1ccc(O)c(C[N@H+](C)CCS(=O)(=O)CC)c1 ZINC000093643532 407201313 /nfs/dbraw/zinc/20/13/13/407201313.db2.gz VFFJIRGVZMRILN-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CCOc1ccc(O)c(C[N@@H+](C)CCS(=O)(=O)CC)c1 ZINC000093643532 407201316 /nfs/dbraw/zinc/20/13/16/407201316.db2.gz VFFJIRGVZMRILN-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CN(C)c1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1F ZINC000271205316 407574319 /nfs/dbraw/zinc/57/43/19/407574319.db2.gz ZKNZAAPPYWAOHA-UHFFFAOYSA-N 1 2 314.426 1.901 20 10 DDCDLO CN(C)c1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1F ZINC000271205316 407574323 /nfs/dbraw/zinc/57/43/23/407574323.db2.gz ZKNZAAPPYWAOHA-UHFFFAOYSA-N 1 2 314.426 1.901 20 10 DDCDLO Cc1cccc(C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000179607177 407812650 /nfs/dbraw/zinc/81/26/50/407812650.db2.gz JOZGGWBQYFRRMP-HNNXBMFYSA-N 1 2 324.446 1.005 20 10 DDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCC1([NH+]2CCOCC2)CC1 ZINC000277614614 408977621 /nfs/dbraw/zinc/97/76/21/408977621.db2.gz QDJFUWGZIPDJKE-DUXPYHPUSA-N 1 2 318.373 1.092 20 10 DDCDLO COC(=O)Cn1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000294535534 409293635 /nfs/dbraw/zinc/29/36/35/409293635.db2.gz HYNRZGDJXUXQKI-UHFFFAOYSA-N 1 2 317.393 1.149 20 10 DDCDLO COC(=O)Cn1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000294535534 409293638 /nfs/dbraw/zinc/29/36/38/409293638.db2.gz HYNRZGDJXUXQKI-UHFFFAOYSA-N 1 2 317.393 1.149 20 10 DDCDLO CC(C)(O)c1cn(C2C[NH+](Cc3cccc(F)c3O)C2)nn1 ZINC000374826883 418566215 /nfs/dbraw/zinc/56/62/15/418566215.db2.gz MCNWLBDRXBKDNK-UHFFFAOYSA-N 1 2 306.341 1.407 20 10 DDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000364304950 418775736 /nfs/dbraw/zinc/77/57/36/418775736.db2.gz MUILHGUQRGKXTN-DGCLKSJQSA-N 1 2 315.373 1.604 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)c1O ZINC000157272811 518287786 /nfs/dbraw/zinc/28/77/86/518287786.db2.gz QCQROXBQCRGOEB-QMTHXVAHSA-N 1 2 311.353 1.706 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)c1O ZINC000157272811 518287792 /nfs/dbraw/zinc/28/77/92/518287792.db2.gz QCQROXBQCRGOEB-QMTHXVAHSA-N 1 2 311.353 1.706 20 10 DDCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCN1S(C)(=O)=O ZINC000181928083 524624615 /nfs/dbraw/zinc/62/46/15/524624615.db2.gz ISUPXSJUBBJPAL-JTQLQIEISA-N 1 2 318.826 1.511 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCN1S(C)(=O)=O ZINC000181928083 524624623 /nfs/dbraw/zinc/62/46/23/524624623.db2.gz ISUPXSJUBBJPAL-JTQLQIEISA-N 1 2 318.826 1.511 20 10 DDCDLO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1F ZINC000821589550 599419235 /nfs/dbraw/zinc/41/92/35/599419235.db2.gz SMHYFJODOWJNQC-UHFFFAOYSA-N 1 2 316.340 1.955 20 10 DDCDLO Oc1c(Br)cccc1C[NH2+]CCCn1cncn1 ZINC000381635410 699065288 /nfs/dbraw/zinc/06/52/88/699065288.db2.gz AEGTVRWJKFKTND-UHFFFAOYSA-N 1 2 311.183 1.926 20 10 DDCDLO CC(=O)NCC[N@@H+](C)Cc1c(O)cccc1Br ZINC000707129998 699245819 /nfs/dbraw/zinc/24/58/19/699245819.db2.gz XITAKAGKGBRLPX-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO CC(=O)NCC[N@H+](C)Cc1c(O)cccc1Br ZINC000707129998 699245822 /nfs/dbraw/zinc/24/58/22/699245822.db2.gz XITAKAGKGBRLPX-UHFFFAOYSA-N 1 2 301.184 1.723 20 10 DDCDLO CO[C@@](C)(CO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715720762 699276796 /nfs/dbraw/zinc/27/67/96/699276796.db2.gz KLPIDTOTLBRZFT-GFCCVEGCSA-N 1 2 322.174 1.781 20 10 DDCDLO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756371825 700617985 /nfs/dbraw/zinc/61/79/85/700617985.db2.gz NPQRBYGVBVPGSZ-QMMMGPOBSA-N 1 2 308.350 1.260 20 10 DDCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464819 701180640 /nfs/dbraw/zinc/18/06/40/701180640.db2.gz VVBIJCJNFHBDFL-IINYFYTJSA-N 1 2 309.362 1.590 20 10 DDCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464819 701180641 /nfs/dbraw/zinc/18/06/41/701180641.db2.gz VVBIJCJNFHBDFL-IINYFYTJSA-N 1 2 309.362 1.590 20 10 DDCDLO Oc1cc2c(cc1CN1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000853551359 704266148 /nfs/dbraw/zinc/26/61/48/704266148.db2.gz VZIYRVBFHVHPPI-KRWDZBQOSA-N 1 2 302.418 1.787 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000825727638 705723125 /nfs/dbraw/zinc/72/31/25/705723125.db2.gz VSGLGONKLJUSBK-JTQLQIEISA-N 1 2 305.309 1.911 20 10 DDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826986806 705906894 /nfs/dbraw/zinc/90/68/94/705906894.db2.gz YTKNSLUHDVYXCD-WDEREUQCSA-N 1 2 323.773 1.086 20 10 DDCDLO Cn1nnnc1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000877780909 706209128 /nfs/dbraw/zinc/20/91/28/706209128.db2.gz JYGVADLQESWMCN-UHFFFAOYSA-N 1 2 307.785 1.949 20 10 DDCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000898214402 708575293 /nfs/dbraw/zinc/57/52/93/708575293.db2.gz BTYAQFMMCNXESN-LLVKDONJSA-N 1 2 322.796 1.963 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644859 711568019 /nfs/dbraw/zinc/56/80/19/711568019.db2.gz GUOUWASGTOPZFF-PRHODGIISA-N 1 2 302.143 1.860 20 10 DDCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644859 711568020 /nfs/dbraw/zinc/56/80/20/711568020.db2.gz GUOUWASGTOPZFF-PRHODGIISA-N 1 2 302.143 1.860 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895704525 711583298 /nfs/dbraw/zinc/58/32/98/711583298.db2.gz WTFDNSRTDLAMKY-ZDUSSCGKSA-N 1 2 303.717 1.295 20 10 DDCDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895704525 711583301 /nfs/dbraw/zinc/58/33/01/711583301.db2.gz WTFDNSRTDLAMKY-ZDUSSCGKSA-N 1 2 303.717 1.295 20 10 DDCDLO COc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc(O)c1O ZINC001204341920 743628713 /nfs/dbraw/zinc/62/87/13/743628713.db2.gz ISYNZOPUPHUSIY-UHFFFAOYSA-N 1 2 321.295 1.996 20 10 DDCDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515475 772558234 /nfs/dbraw/zinc/55/82/34/772558234.db2.gz PWDJKLLUDPZCSE-LLVKDONJSA-N 1 2 313.375 1.284 20 10 DDCDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515475 772558237 /nfs/dbraw/zinc/55/82/37/772558237.db2.gz PWDJKLLUDPZCSE-LLVKDONJSA-N 1 2 313.375 1.284 20 10 DDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354759 860071101 /nfs/dbraw/zinc/07/11/01/860071101.db2.gz SZMWNQAEONXLIX-MRXNPFEDSA-N 1 2 304.390 1.443 20 10 DDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354759 860071109 /nfs/dbraw/zinc/07/11/09/860071109.db2.gz SZMWNQAEONXLIX-MRXNPFEDSA-N 1 2 304.390 1.443 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(OC)c1 ZINC001141029587 860767250 /nfs/dbraw/zinc/76/72/50/860767250.db2.gz WUUYUGHWVJHGAW-SNVBAGLBSA-N 1 2 308.334 1.046 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(OC)c1 ZINC001141029587 860767254 /nfs/dbraw/zinc/76/72/54/860767254.db2.gz WUUYUGHWVJHGAW-SNVBAGLBSA-N 1 2 308.334 1.046 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CCN(CC(F)F)CC3)ccc21 ZINC001141144746 860794601 /nfs/dbraw/zinc/79/46/01/860794601.db2.gz KATFCGONDFXXMM-UHFFFAOYSA-N 1 2 311.376 1.898 20 10 DDCDLO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC001141145589 860795094 /nfs/dbraw/zinc/79/50/94/860795094.db2.gz WSHYXBCFMMDSSE-CQSZACIVSA-N 1 2 324.446 1.524 20 10 DDCDLO CN1CCOc2cc(C[N@H+]3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC001141145589 860795095 /nfs/dbraw/zinc/79/50/95/860795095.db2.gz WSHYXBCFMMDSSE-CQSZACIVSA-N 1 2 324.446 1.524 20 10 DDCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)CO ZINC001141368874 860834168 /nfs/dbraw/zinc/83/41/68/860834168.db2.gz FEGPHPAMECXYBQ-VIFPVBQESA-N 1 2 324.602 1.593 20 10 DDCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)CO ZINC001141368874 860834183 /nfs/dbraw/zinc/83/41/83/860834183.db2.gz FEGPHPAMECXYBQ-VIFPVBQESA-N 1 2 324.602 1.593 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203635503 870689623 /nfs/dbraw/zinc/68/96/23/870689623.db2.gz YXOPDRPKTKILID-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)cc1O ZINC001203635503 870689641 /nfs/dbraw/zinc/68/96/41/870689641.db2.gz YXOPDRPKTKILID-CYBMUJFWSA-N 1 2 309.362 1.555 20 10 DDCDLO O=C1NC(=O)[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2O)N1 ZINC001205716318 871736341 /nfs/dbraw/zinc/73/63/41/871736341.db2.gz HOSRFBARYCHNAW-MEBBXXQBSA-N 1 2 323.780 1.514 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)NCC3CC3)CC2)cc1 ZINC001319612815 872716932 /nfs/dbraw/zinc/71/69/32/872716932.db2.gz LXJOYQJMZHMBNH-UHFFFAOYSA-N 1 2 317.433 1.734 20 10 DDCDLO O=C1NCCC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)O1 ZINC001355370643 878524566 /nfs/dbraw/zinc/52/45/66/878524566.db2.gz OUHUDLBAEGXLSS-UHFFFAOYSA-N 1 2 301.390 1.971 20 10 DDCDLO O=C1COC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)CN1 ZINC001231912530 885940530 /nfs/dbraw/zinc/94/05/30/885940530.db2.gz LEWGOPUXLPPYPE-UHFFFAOYSA-N 1 2 310.781 1.527 20 10 DDCDLO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)CN1 ZINC000092105880 353845117 /nfs/dbraw/zinc/84/51/17/353845117.db2.gz BLWAISMSIJGESU-DGCLKSJQSA-N 1 2 318.373 1.612 20 10 DDCDLO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)CN1 ZINC000092105880 353845122 /nfs/dbraw/zinc/84/51/22/353845122.db2.gz BLWAISMSIJGESU-DGCLKSJQSA-N 1 2 318.373 1.612 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1Cc1cccc(C)c1O ZINC000272559789 130040953 /nfs/dbraw/zinc/04/09/53/130040953.db2.gz SYTOSDSAPSTIFD-GXTWGEPZSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1Cc1cccc(C)c1O ZINC000272559789 130040955 /nfs/dbraw/zinc/04/09/55/130040955.db2.gz SYTOSDSAPSTIFD-GXTWGEPZSA-N 1 2 321.373 1.627 20 10 DDCDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271198631 407570789 /nfs/dbraw/zinc/57/07/89/407570789.db2.gz SLUBCNCVVDZADZ-JTQLQIEISA-N 1 2 315.391 1.376 20 10 DDCDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271198631 407570792 /nfs/dbraw/zinc/57/07/92/407570792.db2.gz SLUBCNCVVDZADZ-JTQLQIEISA-N 1 2 315.391 1.376 20 10 DDCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O ZINC000184702892 408669671 /nfs/dbraw/zinc/66/96/71/408669671.db2.gz NSRDXYAKGKMATB-PRHODGIISA-N 1 2 314.769 1.129 20 10 DDCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O ZINC000184702892 408669676 /nfs/dbraw/zinc/66/96/76/408669676.db2.gz NSRDXYAKGKMATB-PRHODGIISA-N 1 2 314.769 1.129 20 10 DDCDLO C[NH+](C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccco1 ZINC000276767634 408896394 /nfs/dbraw/zinc/89/63/94/408896394.db2.gz XUDDBLNYIZZGMH-JTQLQIEISA-N 1 2 308.309 1.863 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCNC(=O)C2(C)C)ccc1[N+](=O)[O-] ZINC000278321287 409078846 /nfs/dbraw/zinc/07/88/46/409078846.db2.gz YAECNYURCPQJGC-UHFFFAOYSA-N 1 2 309.322 1.019 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCNC(=O)C2(C)C)ccc1[N+](=O)[O-] ZINC000278321287 409078847 /nfs/dbraw/zinc/07/88/47/409078847.db2.gz YAECNYURCPQJGC-UHFFFAOYSA-N 1 2 309.322 1.019 20 10 DDCDLO COc1cccc(C[NH+]2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000371326174 418780086 /nfs/dbraw/zinc/78/00/86/418780086.db2.gz HYRVYFWQGRPMKS-CABCVRRESA-N 1 2 306.406 1.432 20 10 DDCDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179922867 523972044 /nfs/dbraw/zinc/97/20/44/523972044.db2.gz JAFZJKAWTYRAKC-ZDUSSCGKSA-N 1 2 323.412 1.564 20 10 DDCDLO Oc1cc2c(cc1C[NH+]1CC(O)(c3ccc(F)cc3)C1)OCO2 ZINC000365661408 526334415 /nfs/dbraw/zinc/33/44/15/526334415.db2.gz JQMLPUZWHWHKOW-UHFFFAOYSA-N 1 2 317.316 1.963 20 10 DDCDLO O=C(c1cccnc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000156207200 526818353 /nfs/dbraw/zinc/81/83/53/526818353.db2.gz LQDRNYKPNUSQKH-UHFFFAOYSA-N 1 2 315.348 1.884 20 10 DDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000779433036 698422965 /nfs/dbraw/zinc/42/29/65/698422965.db2.gz NYFXYNOQRVSZFI-NSHDSACASA-N 1 2 309.753 1.090 20 10 DDCDLO Cc1cc(Cl)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000779433036 698422968 /nfs/dbraw/zinc/42/29/68/698422968.db2.gz NYFXYNOQRVSZFI-NSHDSACASA-N 1 2 309.753 1.090 20 10 DDCDLO COc1cccc(O)c1C[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000783723954 698870853 /nfs/dbraw/zinc/87/08/53/698870853.db2.gz SCARMMLGMWKKRW-ZDUSSCGKSA-N 1 2 308.422 1.678 20 10 DDCDLO COc1cccc(O)c1C[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000783723954 698870860 /nfs/dbraw/zinc/87/08/60/698870860.db2.gz SCARMMLGMWKKRW-ZDUSSCGKSA-N 1 2 308.422 1.678 20 10 DDCDLO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000703230377 699235827 /nfs/dbraw/zinc/23/58/27/699235827.db2.gz RKHOUKKUPKRINQ-UHFFFAOYSA-N 1 2 305.346 1.727 20 10 DDCDLO COc1ccc(CNC(=O)NCCCn2cc[nH+]c2)c(O)c1 ZINC000792759911 699712530 /nfs/dbraw/zinc/71/25/30/699712530.db2.gz HWZGBHOXDSGEMY-UHFFFAOYSA-N 1 2 304.350 1.487 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754742096 700523618 /nfs/dbraw/zinc/52/36/18/700523618.db2.gz POLNVSSHAAKSRR-CQSZACIVSA-N 1 2 309.362 1.473 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000754742096 700523623 /nfs/dbraw/zinc/52/36/23/700523623.db2.gz POLNVSSHAAKSRR-CQSZACIVSA-N 1 2 309.362 1.473 20 10 DDCDLO Oc1cc2c(cc1C[NH+]1CCN(C[C@@H]3CCCO3)CC1)OCO2 ZINC000768190923 701162598 /nfs/dbraw/zinc/16/25/98/701162598.db2.gz FESXLSIGQWTNHT-AWEZNQCLSA-N 1 2 320.389 1.418 20 10 DDCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000816570688 702114976 /nfs/dbraw/zinc/11/49/76/702114976.db2.gz DEXIZMLALSCAJV-UHFFFAOYSA-N 1 2 311.748 1.871 20 10 DDCDLO CCN(C#N)CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879461127 706685722 /nfs/dbraw/zinc/68/57/22/706685722.db2.gz DFZCECSVBVXINT-UHFFFAOYSA-N 1 2 318.421 1.629 20 10 DDCDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000844187393 702987145 /nfs/dbraw/zinc/98/71/45/702987145.db2.gz FPKOBPJVFGOEFL-UHFFFAOYSA-N 1 2 311.376 1.999 20 10 DDCDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000844187393 702987147 /nfs/dbraw/zinc/98/71/47/702987147.db2.gz FPKOBPJVFGOEFL-UHFFFAOYSA-N 1 2 311.376 1.999 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925698 703604227 /nfs/dbraw/zinc/60/42/27/703604227.db2.gz CZYIYOHVEBADGW-NWDGAFQWSA-N 1 2 317.216 1.950 20 10 DDCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925698 703604228 /nfs/dbraw/zinc/60/42/28/703604228.db2.gz CZYIYOHVEBADGW-NWDGAFQWSA-N 1 2 317.216 1.950 20 10 DDCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850361929 703727290 /nfs/dbraw/zinc/72/72/90/703727290.db2.gz XSWQLIHKPACEDR-KOLCDFICSA-N 1 2 323.773 1.086 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000877791320 706215872 /nfs/dbraw/zinc/21/58/72/706215872.db2.gz JEEKPIRFUOZATN-NWDGAFQWSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000877791320 706215873 /nfs/dbraw/zinc/21/58/73/706215873.db2.gz JEEKPIRFUOZATN-NWDGAFQWSA-N 1 2 315.822 1.912 20 10 DDCDLO OCCCN1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132418 707936275 /nfs/dbraw/zinc/93/62/75/707936275.db2.gz QOFPAMQPYJVTDD-CYBMUJFWSA-N 1 2 300.349 1.607 20 10 DDCDLO Cn1nccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000897558214 708373407 /nfs/dbraw/zinc/37/34/07/708373407.db2.gz FZQVIZRTABTPHS-MRXNPFEDSA-N 1 2 317.345 1.428 20 10 DDCDLO Cn1nccc1[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000897558214 708373411 /nfs/dbraw/zinc/37/34/11/708373411.db2.gz FZQVIZRTABTPHS-MRXNPFEDSA-N 1 2 317.345 1.428 20 10 DDCDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000897618615 708395770 /nfs/dbraw/zinc/39/57/70/708395770.db2.gz HKOWKFBEZGCVCY-BETUJISGSA-N 1 2 312.410 1.368 20 10 DDCDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000897618615 708395774 /nfs/dbraw/zinc/39/57/74/708395774.db2.gz HKOWKFBEZGCVCY-BETUJISGSA-N 1 2 312.410 1.368 20 10 DDCDLO COc1ccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1F ZINC000901000259 709872709 /nfs/dbraw/zinc/87/27/09/709872709.db2.gz ZKQRHEVEOHVSJO-UHFFFAOYSA-N 1 2 318.352 1.449 20 10 DDCDLO COc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cc1OC ZINC000895117700 711421580 /nfs/dbraw/zinc/42/15/80/711421580.db2.gz CDXFCLZYDCAONE-HBNTYKKESA-N 1 2 308.378 1.507 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cc1OC ZINC000895117700 711421583 /nfs/dbraw/zinc/42/15/83/711421583.db2.gz CDXFCLZYDCAONE-HBNTYKKESA-N 1 2 308.378 1.507 20 10 DDCDLO COc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000895135965 711429320 /nfs/dbraw/zinc/42/93/20/711429320.db2.gz PQYSWWVHEMAFFB-GARJFASQSA-N 1 2 308.378 1.507 20 10 DDCDLO COc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000895135965 711429322 /nfs/dbraw/zinc/42/93/22/711429322.db2.gz PQYSWWVHEMAFFB-GARJFASQSA-N 1 2 308.378 1.507 20 10 DDCDLO OCC[NH+](CCO)Cc1cc(Br)cc(F)c1O ZINC000895388503 711500353 /nfs/dbraw/zinc/50/03/53/711500353.db2.gz JANCDZCMNVVCLP-UHFFFAOYSA-N 1 2 308.147 1.080 20 10 DDCDLO COc1cc(C)cc(C[NH2+]Cc2nc(CSC)n[nH]2)c1O ZINC000895813682 711614258 /nfs/dbraw/zinc/61/42/58/711614258.db2.gz LWJMGJSFLVOJQU-UHFFFAOYSA-N 1 2 308.407 1.980 20 10 DDCDLO COc1ccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c(O)c1 ZINC000907925826 712649577 /nfs/dbraw/zinc/64/95/77/712649577.db2.gz JGFSTBXNRBTRCV-UKTHLTGXSA-N 1 2 320.389 1.296 20 10 DDCDLO COc1cnc(N2CC[NH+](Cc3cccc(F)c3O)CC2)nc1 ZINC001138130795 860011495 /nfs/dbraw/zinc/01/14/95/860011495.db2.gz HYYSCRGILAVUPO-UHFFFAOYSA-N 1 2 318.352 1.652 20 10 DDCDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279619 871037301 /nfs/dbraw/zinc/03/73/01/871037301.db2.gz CUBWRYMSCDATFS-UHFFFAOYSA-N 1 2 313.357 1.451 20 10 DDCDLO CNc1nccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000323853263 883852627 /nfs/dbraw/zinc/85/26/27/883852627.db2.gz VTOARDWTYYEPFF-UHFFFAOYSA-N 1 2 313.405 1.849 20 10 DDCDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010008 886722402 /nfs/dbraw/zinc/72/24/02/886722402.db2.gz HCMQHRSSSKZFQK-GFCCVEGCSA-N 1 2 307.268 1.550 20 10 DDCDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010008 886722412 /nfs/dbraw/zinc/72/24/12/886722412.db2.gz HCMQHRSSSKZFQK-GFCCVEGCSA-N 1 2 307.268 1.550 20 10 DDCDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1Cl ZINC001236801161 889359211 /nfs/dbraw/zinc/35/92/11/889359211.db2.gz GIPFKAGZJLDGJY-IUODEOHRSA-N 1 2 315.797 1.619 20 10 DDCDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1Cl ZINC001236801161 889359219 /nfs/dbraw/zinc/35/92/19/889359219.db2.gz GIPFKAGZJLDGJY-IUODEOHRSA-N 1 2 315.797 1.619 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)cc1Br ZINC001237675867 889797312 /nfs/dbraw/zinc/79/73/12/889797312.db2.gz CKUAAIDDYBCOKM-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)CC2)cc1Br ZINC001237675867 889797317 /nfs/dbraw/zinc/79/73/17/889797317.db2.gz CKUAAIDDYBCOKM-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOCC2(C)C)cc1 ZINC000064517775 352939799 /nfs/dbraw/zinc/93/97/99/352939799.db2.gz UIFTYNCDLSGJTP-UHFFFAOYSA-N 1 2 319.449 1.822 20 10 DDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOCC2(C)C)cc1 ZINC000064517775 352939800 /nfs/dbraw/zinc/93/98/00/352939800.db2.gz UIFTYNCDLSGJTP-UHFFFAOYSA-N 1 2 319.449 1.822 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050154548 407128609 /nfs/dbraw/zinc/12/86/09/407128609.db2.gz QSZCGERIVVQDRB-ZDUSSCGKSA-N 1 2 310.781 1.959 20 10 DDCDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050154548 407128611 /nfs/dbraw/zinc/12/86/11/407128611.db2.gz QSZCGERIVVQDRB-ZDUSSCGKSA-N 1 2 310.781 1.959 20 10 DDCDLO COC(=O)C[N@H+](CCn1cccn1)Cc1cc(Cl)ccc1O ZINC000111238359 407402081 /nfs/dbraw/zinc/40/20/81/407402081.db2.gz CZCZKPZIMQJQOR-UHFFFAOYSA-N 1 2 323.780 1.917 20 10 DDCDLO COC(=O)C[N@@H+](CCn1cccn1)Cc1cc(Cl)ccc1O ZINC000111238359 407402083 /nfs/dbraw/zinc/40/20/83/407402083.db2.gz CZCZKPZIMQJQOR-UHFFFAOYSA-N 1 2 323.780 1.917 20 10 DDCDLO COCC(=O)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179673592 407819898 /nfs/dbraw/zinc/81/98/98/407819898.db2.gz SWNAVAZTKORKDQ-UHFFFAOYSA-N 1 2 312.797 1.645 20 10 DDCDLO COCC[NH+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000175568374 408163801 /nfs/dbraw/zinc/16/38/01/408163801.db2.gz BEVQTAUZPWWROB-UHFFFAOYSA-N 1 2 310.369 1.498 20 10 DDCDLO COc1ccc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)cc1F ZINC000121464201 408215922 /nfs/dbraw/zinc/21/59/22/408215922.db2.gz WXVVQACQLXQBLS-ZDUSSCGKSA-N 1 2 322.302 1.880 20 10 DDCDLO Cc1nc(N2CCN(C(=O)c3cccc(O)c3O)CC2)cc[nH+]1 ZINC000193163305 408702612 /nfs/dbraw/zinc/70/26/12/408702612.db2.gz JEAKUUHWDDXICM-UHFFFAOYSA-N 1 2 314.345 1.159 20 10 DDCDLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000281674205 287045686 /nfs/dbraw/zinc/04/56/86/287045686.db2.gz RBLCRLAJXCRIKA-MNOVXSKESA-N 1 2 307.350 1.962 20 10 DDCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295440444 409482709 /nfs/dbraw/zinc/48/27/09/409482709.db2.gz ULNKBHMBCTYWLL-VIFPVBQESA-N 1 2 316.760 1.210 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684080 418712837 /nfs/dbraw/zinc/71/28/37/418712837.db2.gz VHUUYIHVJWYMOA-DRCTWCGVSA-N 1 2 319.361 1.961 20 10 DDCDLO COc1ccc(O)c([C@H](C)[N@H+]2C[C@H](O)C[C@@H]2c2nc(C)no2)c1 ZINC000377684080 418712841 /nfs/dbraw/zinc/71/28/41/418712841.db2.gz VHUUYIHVJWYMOA-DRCTWCGVSA-N 1 2 319.361 1.961 20 10 DDCDLO CCN1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1=O ZINC000190230552 521613242 /nfs/dbraw/zinc/61/32/42/521613242.db2.gz ZPTJGCIXHSOPTL-UHFFFAOYSA-N 1 2 308.353 1.788 20 10 DDCDLO CCN1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1=O ZINC000190230552 521613249 /nfs/dbraw/zinc/61/32/49/521613249.db2.gz ZPTJGCIXHSOPTL-UHFFFAOYSA-N 1 2 308.353 1.788 20 10 DDCDLO Cc1cc(Br)cc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000180061152 526157422 /nfs/dbraw/zinc/15/74/22/526157422.db2.gz IQAKSXQKWXSIOM-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO Cc1cc(Br)cc(C[N@H+]2CCNC(=O)CC2)c1O ZINC000180061152 526157427 /nfs/dbraw/zinc/15/74/27/526157427.db2.gz IQAKSXQKWXSIOM-UHFFFAOYSA-N 1 2 313.195 1.785 20 10 DDCDLO C[N@H+](CCS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000076265715 696427519 /nfs/dbraw/zinc/42/75/19/696427519.db2.gz MLLDPUPFCXXRSS-UHFFFAOYSA-N 1 2 315.435 1.872 20 10 DDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000076265715 696427520 /nfs/dbraw/zinc/42/75/20/696427520.db2.gz MLLDPUPFCXXRSS-UHFFFAOYSA-N 1 2 315.435 1.872 20 10 DDCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2cn(C)nn2)c1 ZINC000782969831 698791385 /nfs/dbraw/zinc/79/13/85/698791385.db2.gz YOENTHUNJQQTQU-UHFFFAOYSA-N 1 2 311.183 1.881 20 10 DDCDLO CCOC(=O)/C(=C\c1c[nH+]c(N(C)C)n1C)c1nccn1C ZINC000840718135 702219088 /nfs/dbraw/zinc/21/90/88/702219088.db2.gz LZDFKXZZYVJSCW-XFXZXTDPSA-N 1 2 303.366 1.323 20 10 DDCDLO CC(C)COc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819416082 704122640 /nfs/dbraw/zinc/12/26/40/704122640.db2.gz LTICPQLSNBHHIR-HNNXBMFYSA-N 1 2 308.422 1.826 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000831924996 706804393 /nfs/dbraw/zinc/80/43/93/706804393.db2.gz QOZAPFBZEYMHEE-CYZMBNFOSA-N 1 2 315.373 1.682 20 10 DDCDLO C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(N(C)C)cc1 ZINC000875507210 705412243 /nfs/dbraw/zinc/41/22/43/705412243.db2.gz BPQBEXFDXAEHEK-GXTWGEPZSA-N 1 2 313.405 1.934 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](CO)O1 ZINC000862338078 705698225 /nfs/dbraw/zinc/69/82/25/705698225.db2.gz IUSKXHRPGWZJTG-UWVGGRQHSA-N 1 2 316.195 1.736 20 10 DDCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H](CO)O1 ZINC000862338078 705698221 /nfs/dbraw/zinc/69/82/21/705698221.db2.gz IUSKXHRPGWZJTG-UWVGGRQHSA-N 1 2 316.195 1.736 20 10 DDCDLO Oc1c(CN2CC[NH+](C3CCOCC3)CC2)ccc(F)c1F ZINC000876761777 705862984 /nfs/dbraw/zinc/86/29/84/705862984.db2.gz ZLEPARSYESNLDQ-UHFFFAOYSA-N 1 2 312.360 1.967 20 10 DDCDLO Oc1c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)ccc(F)c1F ZINC000876767151 705866304 /nfs/dbraw/zinc/86/63/04/705866304.db2.gz CGSNXIBZLFRSFF-LBPRGKRZSA-N 1 2 312.360 1.825 20 10 DDCDLO Oc1c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)ccc(F)c1F ZINC000876767151 705866307 /nfs/dbraw/zinc/86/63/07/705866307.db2.gz CGSNXIBZLFRSFF-LBPRGKRZSA-N 1 2 312.360 1.825 20 10 DDCDLO OCC1(O)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000827147627 705940010 /nfs/dbraw/zinc/94/00/10/705940010.db2.gz UFFLJPPFZBXMIW-UHFFFAOYSA-N 1 2 316.195 1.474 20 10 DDCDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877516058 706129544 /nfs/dbraw/zinc/12/95/44/706129544.db2.gz BGAAOPCNMSNERQ-WCQYABFASA-N 1 2 312.360 1.965 20 10 DDCDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877516058 706129545 /nfs/dbraw/zinc/12/95/45/706129545.db2.gz BGAAOPCNMSNERQ-WCQYABFASA-N 1 2 312.360 1.965 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC000877793249 706217277 /nfs/dbraw/zinc/21/72/77/706217277.db2.gz NGFBLKGQXSSELZ-QWRGUYRKSA-N 1 2 315.822 1.912 20 10 DDCDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC000877793249 706217279 /nfs/dbraw/zinc/21/72/79/706217279.db2.gz NGFBLKGQXSSELZ-QWRGUYRKSA-N 1 2 315.822 1.912 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000878983356 706552259 /nfs/dbraw/zinc/55/22/59/706552259.db2.gz KWKJYPFISJWVAO-DOMZBBRYSA-N 1 2 313.781 1.566 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000878983356 706552261 /nfs/dbraw/zinc/55/22/61/706552261.db2.gz KWKJYPFISJWVAO-DOMZBBRYSA-N 1 2 313.781 1.566 20 10 DDCDLO Nc1ccc(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000832658865 706958203 /nfs/dbraw/zinc/95/82/03/706958203.db2.gz DYUJQOYTHPRMCC-QGZVFWFLSA-N 1 2 317.433 1.571 20 10 DDCDLO Nc1ccc(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000832658865 706958206 /nfs/dbraw/zinc/95/82/06/706958206.db2.gz DYUJQOYTHPRMCC-QGZVFWFLSA-N 1 2 317.433 1.571 20 10 DDCDLO CCOCC[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893923163 710887672 /nfs/dbraw/zinc/88/76/72/710887672.db2.gz KBDAAIDOOWOCHJ-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC001180125919 779632025 /nfs/dbraw/zinc/63/20/25/779632025.db2.gz VNHGVMPKISUCJP-BRBWODKKSA-N 1 2 315.417 1.307 20 10 DDCDLO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC001180125919 779632031 /nfs/dbraw/zinc/63/20/31/779632031.db2.gz VNHGVMPKISUCJP-BRBWODKKSA-N 1 2 315.417 1.307 20 10 DDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139134105 860302602 /nfs/dbraw/zinc/30/26/02/860302602.db2.gz XABAVTCSJOTYEP-LBPRGKRZSA-N 1 2 316.357 1.517 20 10 DDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139134105 860302606 /nfs/dbraw/zinc/30/26/06/860302606.db2.gz XABAVTCSJOTYEP-LBPRGKRZSA-N 1 2 316.357 1.517 20 10 DDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC001140288235 860612754 /nfs/dbraw/zinc/61/27/54/860612754.db2.gz LNVDOWSPAJQLMW-GOSISDBHSA-N 1 2 318.417 1.438 20 10 DDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC001140288235 860612756 /nfs/dbraw/zinc/61/27/56/860612756.db2.gz LNVDOWSPAJQLMW-GOSISDBHSA-N 1 2 318.417 1.438 20 10 DDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461747 860638652 /nfs/dbraw/zinc/63/86/52/860638652.db2.gz SRLNTUZSTVQJMD-OAHLLOKOSA-N 1 2 324.808 1.869 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140620836 860664450 /nfs/dbraw/zinc/66/44/50/860664450.db2.gz CXXWIANFOYZLBV-AWEZNQCLSA-N 1 2 302.378 1.575 20 10 DDCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140620836 860664453 /nfs/dbraw/zinc/66/44/53/860664453.db2.gz CXXWIANFOYZLBV-AWEZNQCLSA-N 1 2 302.378 1.575 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141032365 860769017 /nfs/dbraw/zinc/76/90/17/860769017.db2.gz ZNMRGGNOWXTCAT-OAHLLOKOSA-N 1 2 313.325 1.496 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141032365 860769020 /nfs/dbraw/zinc/76/90/20/860769020.db2.gz ZNMRGGNOWXTCAT-OAHLLOKOSA-N 1 2 313.325 1.496 20 10 DDCDLO CNc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc[nH+]1 ZINC001333669622 866921261 /nfs/dbraw/zinc/92/12/61/866921261.db2.gz YZYRQOQRXFFBIX-UHFFFAOYSA-N 1 2 317.368 1.993 20 10 DDCDLO CNc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)[nH+]cn1 ZINC001333669622 866921275 /nfs/dbraw/zinc/92/12/75/866921275.db2.gz YZYRQOQRXFFBIX-UHFFFAOYSA-N 1 2 317.368 1.993 20 10 DDCDLO O=S1(=O)CCN(c2ccc(C[N@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC001237207029 889545826 /nfs/dbraw/zinc/54/58/26/889545826.db2.gz RGFVCKMQYVZCOX-CQSZACIVSA-N 1 2 312.410 1.465 20 10 DDCDLO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC001237207029 889545836 /nfs/dbraw/zinc/54/58/36/889545836.db2.gz RGFVCKMQYVZCOX-CQSZACIVSA-N 1 2 312.410 1.465 20 10 DDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237807444 889863710 /nfs/dbraw/zinc/86/37/10/889863710.db2.gz IVWWHEARELHZOQ-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237807444 889863722 /nfs/dbraw/zinc/86/37/22/889863722.db2.gz IVWWHEARELHZOQ-OCCSQVGLSA-N 1 2 303.761 1.750 20 10 DDCDLO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC001238070845 890014835 /nfs/dbraw/zinc/01/48/35/890014835.db2.gz PYEGYTGCNDABLY-ZDUSSCGKSA-N 1 2 301.383 1.849 20 10 DDCDLO Cc1cc(F)cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC001238070845 890014850 /nfs/dbraw/zinc/01/48/50/890014850.db2.gz PYEGYTGCNDABLY-ZDUSSCGKSA-N 1 2 301.383 1.849 20 10 DDCDLO CCOc1ccc(N2CC[NH+](Cc3cnnn3C)CC2)cc1 ZINC001238161876 890096815 /nfs/dbraw/zinc/09/68/15/890096815.db2.gz BEGMILNUXRDKLJ-UHFFFAOYSA-N 1 2 301.394 1.536 20 10 DDCDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278289227 409079158 /nfs/dbraw/zinc/07/91/58/409079158.db2.gz UUFVVOXMFQCCCJ-NSHDSACASA-N 1 2 312.322 1.156 20 10 DDCDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278289227 409079159 /nfs/dbraw/zinc/07/91/59/409079159.db2.gz UUFVVOXMFQCCCJ-NSHDSACASA-N 1 2 312.322 1.156 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1O ZINC000189338857 222041502 /nfs/dbraw/zinc/04/15/02/222041502.db2.gz IPWWJJTXLNDOAW-VIFPVBQESA-N 1 2 310.781 1.959 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1O ZINC000189338857 222041506 /nfs/dbraw/zinc/04/15/06/222041506.db2.gz IPWWJJTXLNDOAW-VIFPVBQESA-N 1 2 310.781 1.959 20 10 DDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000377868273 418716132 /nfs/dbraw/zinc/71/61/32/418716132.db2.gz GTUQEGMQDBHQRC-CYBMUJFWSA-N 1 2 310.369 1.656 20 10 DDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000377868273 418716134 /nfs/dbraw/zinc/71/61/34/418716134.db2.gz GTUQEGMQDBHQRC-CYBMUJFWSA-N 1 2 310.369 1.656 20 10 DDCDLO COCCc1noc(C[N@H+](C)Cc2cc(OC)ccc2O)n1 ZINC000180376423 697448298 /nfs/dbraw/zinc/44/82/98/697448298.db2.gz ZECPQQNRPLGNHJ-UHFFFAOYSA-N 1 2 307.350 1.605 20 10 DDCDLO COCCc1noc(C[N@@H+](C)Cc2cc(OC)ccc2O)n1 ZINC000180376423 697448300 /nfs/dbraw/zinc/44/83/00/697448300.db2.gz ZECPQQNRPLGNHJ-UHFFFAOYSA-N 1 2 307.350 1.605 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccccc1O)[N@@H+]1CCO[C@H](CC)C1 ZINC000774067325 697839366 /nfs/dbraw/zinc/83/93/66/697839366.db2.gz XZNNOLFMPHWVFF-CABCVRRESA-N 1 2 306.406 1.898 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccccc1O)[N@H+]1CCO[C@H](CC)C1 ZINC000774067325 697839369 /nfs/dbraw/zinc/83/93/69/697839369.db2.gz XZNNOLFMPHWVFF-CABCVRRESA-N 1 2 306.406 1.898 20 10 DDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000729492599 699480055 /nfs/dbraw/zinc/48/00/55/699480055.db2.gz GIRRDUMWLFEFBH-AWEZNQCLSA-N 1 2 320.437 1.273 20 10 DDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000729492599 699480057 /nfs/dbraw/zinc/48/00/57/699480057.db2.gz GIRRDUMWLFEFBH-AWEZNQCLSA-N 1 2 320.437 1.273 20 10 DDCDLO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(O)c1O ZINC000840524385 702141587 /nfs/dbraw/zinc/14/15/87/702141587.db2.gz ZIYCQSVENTYAEM-UHFFFAOYSA-N 1 2 308.378 1.247 20 10 DDCDLO CC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc(Cl)c1O ZINC000840803997 702243644 /nfs/dbraw/zinc/24/36/44/702243644.db2.gz XHYJGXCSKMXNCB-MFKMUULPSA-N 1 2 310.785 1.739 20 10 DDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875073101 705273106 /nfs/dbraw/zinc/27/31/06/705273106.db2.gz BHDWRVLTYXMUFC-LBPRGKRZSA-N 1 2 305.378 1.138 20 10 DDCDLO CN(C)c1ccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1F ZINC000875180732 705305456 /nfs/dbraw/zinc/30/54/56/705305456.db2.gz UBGRHTKUOXWKNZ-GFCCVEGCSA-N 1 2 317.368 1.512 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000862757212 705791385 /nfs/dbraw/zinc/79/13/85/705791385.db2.gz LIFUZBRPPKACNL-INIZCTEOSA-N 1 2 318.417 1.960 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000862757212 705791387 /nfs/dbraw/zinc/79/13/87/705791387.db2.gz LIFUZBRPPKACNL-INIZCTEOSA-N 1 2 318.417 1.960 20 10 DDCDLO CC[C@H](CO)[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876777601 705872573 /nfs/dbraw/zinc/87/25/73/705872573.db2.gz SCNJIVWVAYVROF-GFCCVEGCSA-N 1 2 300.349 1.559 20 10 DDCDLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(F)c(F)c1O ZINC000877606864 706157621 /nfs/dbraw/zinc/15/76/21/706157621.db2.gz NGVOQXMBEYRKAS-SNVBAGLBSA-N 1 2 313.348 1.222 20 10 DDCDLO Oc1c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc(F)c1F ZINC000877641399 706166822 /nfs/dbraw/zinc/16/68/22/706166822.db2.gz YYWSIBFVMAMIAU-CYBMUJFWSA-N 1 2 312.360 1.701 20 10 DDCDLO Oc1c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc(F)c1F ZINC000877641399 706166825 /nfs/dbraw/zinc/16/68/25/706166825.db2.gz YYWSIBFVMAMIAU-CYBMUJFWSA-N 1 2 312.360 1.701 20 10 DDCDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)CS(N)(=O)=O ZINC000877734583 706192931 /nfs/dbraw/zinc/19/29/31/706192931.db2.gz BODICLNEDKKFCL-UHFFFAOYSA-N 1 2 306.815 1.450 20 10 DDCDLO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883188956 707951430 /nfs/dbraw/zinc/95/14/30/707951430.db2.gz UMXDGHACTZEAGG-JOTVFPGJSA-N 1 2 317.158 1.647 20 10 DDCDLO O=S(=O)(CC[NH2+]Cc1ccc(F)c(F)c1O)N1CCCC1 ZINC000897828633 708463173 /nfs/dbraw/zinc/46/31/73/708463173.db2.gz ZSICQYDJZPQQLS-UHFFFAOYSA-N 1 2 320.361 1.186 20 10 DDCDLO CC[C@@H](C(=O)NCCc1ccc(N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911783687 710985738 /nfs/dbraw/zinc/98/57/38/710985738.db2.gz XMCNSSFSNPEESN-IRXDYDNUSA-N 1 2 319.449 1.817 20 10 DDCDLO CC[C@@H](C(=O)NCCc1ccc(N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911783687 710985740 /nfs/dbraw/zinc/98/57/40/710985740.db2.gz XMCNSSFSNPEESN-IRXDYDNUSA-N 1 2 319.449 1.817 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000911891418 711054881 /nfs/dbraw/zinc/05/48/81/711054881.db2.gz GJUUJKCVJVCPFH-UHFFFAOYSA-N 1 2 302.378 1.556 20 10 DDCDLO COc1cc(C)cc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000895189900 711449070 /nfs/dbraw/zinc/44/90/70/711449070.db2.gz XWFMHUAHAISODG-UHFFFAOYSA-N 1 2 305.382 1.741 20 10 DDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCC1 ZINC000930763514 713914337 /nfs/dbraw/zinc/91/43/37/713914337.db2.gz MJMSFWASHPFNQZ-OAHLLOKOSA-N 1 2 323.389 1.033 20 10 DDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCC1 ZINC000930763514 713914338 /nfs/dbraw/zinc/91/43/38/713914338.db2.gz MJMSFWASHPFNQZ-OAHLLOKOSA-N 1 2 323.389 1.033 20 10 DDCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144514530 772558400 /nfs/dbraw/zinc/55/84/00/772558400.db2.gz JNOIPRMPSYVAET-UHFFFAOYSA-N 1 2 317.341 1.979 20 10 DDCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144514530 772558404 /nfs/dbraw/zinc/55/84/04/772558404.db2.gz JNOIPRMPSYVAET-UHFFFAOYSA-N 1 2 317.341 1.979 20 10 DDCDLO COCCC[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139684535 780441701 /nfs/dbraw/zinc/44/17/01/780441701.db2.gz YMBQOTSDFOLEDL-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661883 860669513 /nfs/dbraw/zinc/66/95/13/860669513.db2.gz WOLBNNDFSFAAES-INIZCTEOSA-N 1 2 321.396 1.502 20 10 DDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661883 860669515 /nfs/dbraw/zinc/66/95/15/860669515.db2.gz WOLBNNDFSFAAES-INIZCTEOSA-N 1 2 321.396 1.502 20 10 DDCDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140661358 860669557 /nfs/dbraw/zinc/66/95/57/860669557.db2.gz BMXMYHKVVWPRKG-UHFFFAOYSA-N 1 2 309.385 1.182 20 10 DDCDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140661358 860669560 /nfs/dbraw/zinc/66/95/60/860669560.db2.gz BMXMYHKVVWPRKG-UHFFFAOYSA-N 1 2 309.385 1.182 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C)cc1O ZINC001140952005 860746021 /nfs/dbraw/zinc/74/60/21/860746021.db2.gz BFTMXXCLUQRMLO-CQSZACIVSA-N 1 2 302.378 1.575 20 10 DDCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140952005 860746023 /nfs/dbraw/zinc/74/60/23/860746023.db2.gz BFTMXXCLUQRMLO-CQSZACIVSA-N 1 2 302.378 1.575 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(OC)c1 ZINC001141031910 860768871 /nfs/dbraw/zinc/76/88/71/860768871.db2.gz NNPNROGQUZHPOO-CYBMUJFWSA-N 1 2 322.405 1.316 20 10 DDCDLO [NH3+][C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC001357361666 879933712 /nfs/dbraw/zinc/93/37/12/879933712.db2.gz LFKANWIKIJCIDF-CYBMUJFWSA-N 1 2 313.348 1.122 20 10 DDCDLO COCCN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276913810 881067743 /nfs/dbraw/zinc/06/77/43/881067743.db2.gz KEOICGCYHXVELX-DYVFJYSZSA-N 1 2 320.389 1.167 20 10 DDCDLO COCCN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276913810 881067755 /nfs/dbraw/zinc/06/77/55/881067755.db2.gz KEOICGCYHXVELX-DYVFJYSZSA-N 1 2 320.389 1.167 20 10 DDCDLO O=C(c1n[nH]c2c1CC[N@@H+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446962 884347518 /nfs/dbraw/zinc/34/75/18/884347518.db2.gz WXUSSBXNBPZIAL-UHFFFAOYSA-N 1 2 324.384 1.686 20 10 DDCDLO O=C(c1n[nH]c2c1CC[N@H+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446962 884347528 /nfs/dbraw/zinc/34/75/28/884347528.db2.gz WXUSSBXNBPZIAL-UHFFFAOYSA-N 1 2 324.384 1.686 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848070 885905192 /nfs/dbraw/zinc/90/51/92/885905192.db2.gz GDHDNUQEBKUUID-MRXNPFEDSA-N 1 2 310.369 1.848 20 10 DDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848070 885905204 /nfs/dbraw/zinc/90/52/04/885905204.db2.gz GDHDNUQEBKUUID-MRXNPFEDSA-N 1 2 310.369 1.848 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC001232269479 886198830 /nfs/dbraw/zinc/19/88/30/886198830.db2.gz BNRHEXQPLBHHLX-SNVBAGLBSA-N 1 2 319.810 1.673 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC001232269479 886198838 /nfs/dbraw/zinc/19/88/38/886198838.db2.gz BNRHEXQPLBHHLX-SNVBAGLBSA-N 1 2 319.810 1.673 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(O)C(F)(F)F ZINC001233010898 886722447 /nfs/dbraw/zinc/72/24/47/886722447.db2.gz WXPXQHAICPHSAL-AMIZOPFISA-N 1 2 321.295 1.939 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(O)C(F)(F)F ZINC001233010898 886722464 /nfs/dbraw/zinc/72/24/64/886722464.db2.gz WXPXQHAICPHSAL-AMIZOPFISA-N 1 2 321.295 1.939 20 10 DDCDLO O=C(C1CCC1)N1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014079 886727676 /nfs/dbraw/zinc/72/76/76/886727676.db2.gz YGTVIBFJASHSNW-UHFFFAOYSA-N 1 2 320.389 1.638 20 10 DDCDLO O=C(C1CCC1)N1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014079 886727687 /nfs/dbraw/zinc/72/76/87/886727687.db2.gz YGTVIBFJASHSNW-UHFFFAOYSA-N 1 2 320.389 1.638 20 10 DDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000048141290 352527851 /nfs/dbraw/zinc/52/78/51/352527851.db2.gz AADWCKLSVPDPPH-CYBMUJFWSA-N 1 2 301.394 1.837 20 10 DDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000288466003 131326742 /nfs/dbraw/zinc/32/67/42/131326742.db2.gz FGCNWFQQTAADJC-XJKSGUPXSA-N 1 2 316.313 1.885 20 10 DDCDLO CN(C)c1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000271177534 407557618 /nfs/dbraw/zinc/55/76/18/407557618.db2.gz HZVDKAHEFVBPSW-UHFFFAOYSA-N 1 2 304.438 1.134 20 10 DDCDLO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000186579027 407711850 /nfs/dbraw/zinc/71/18/50/407711850.db2.gz JHXWCXDRMMRYPP-GOEBONIOSA-N 1 2 324.377 1.956 20 10 DDCDLO C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCOCC1 ZINC000273463103 408210533 /nfs/dbraw/zinc/21/05/33/408210533.db2.gz DGEUQCTZFIUTKN-OLZOCXBDSA-N 1 2 323.393 1.919 20 10 DDCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000295406853 409471319 /nfs/dbraw/zinc/47/13/19/409471319.db2.gz WAXZRMNPUOIMOL-MNOVXSKESA-N 1 2 324.352 1.172 20 10 DDCDLO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000366927527 418539574 /nfs/dbraw/zinc/53/95/74/418539574.db2.gz YKPIITIWVBREIG-CYBMUJFWSA-N 1 2 319.188 1.511 20 10 DDCDLO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000366927527 418539576 /nfs/dbraw/zinc/53/95/76/418539576.db2.gz YKPIITIWVBREIG-CYBMUJFWSA-N 1 2 319.188 1.511 20 10 DDCDLO O=C1OC[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000365252629 418846319 /nfs/dbraw/zinc/84/63/19/418846319.db2.gz CQPLQFFOARVVMN-QMMMGPOBSA-N 1 2 300.717 1.821 20 10 DDCDLO O=C1OC[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000365252629 418846320 /nfs/dbraw/zinc/84/63/20/418846320.db2.gz CQPLQFFOARVVMN-QMMMGPOBSA-N 1 2 300.717 1.821 20 10 DDCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000050926870 696235501 /nfs/dbraw/zinc/23/55/01/696235501.db2.gz CICZMVPXGQGGAR-ZDUSSCGKSA-N 1 2 308.378 1.081 20 10 DDCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000050926870 696235504 /nfs/dbraw/zinc/23/55/04/696235504.db2.gz CICZMVPXGQGGAR-ZDUSSCGKSA-N 1 2 308.378 1.081 20 10 DDCDLO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 ZINC000773887210 697818496 /nfs/dbraw/zinc/81/84/96/697818496.db2.gz DNBSIEBSRBHYFD-JKSUJKDBSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(C)c1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 ZINC000773887210 697818502 /nfs/dbraw/zinc/81/85/02/697818502.db2.gz DNBSIEBSRBHYFD-JKSUJKDBSA-N 1 2 306.406 1.641 20 10 DDCDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1O ZINC000780856126 698563847 /nfs/dbraw/zinc/56/38/47/698563847.db2.gz OHHSPFPWUXLWFV-ZDUSSCGKSA-N 1 2 320.389 1.343 20 10 DDCDLO CN1CC[C@H]([N@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000707140390 699245655 /nfs/dbraw/zinc/24/56/55/699245655.db2.gz QDDRUFIRQXCXJD-NSHDSACASA-N 1 2 313.195 1.817 20 10 DDCDLO CN1CC[C@H]([N@@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000707140390 699245659 /nfs/dbraw/zinc/24/56/59/699245659.db2.gz QDDRUFIRQXCXJD-NSHDSACASA-N 1 2 313.195 1.817 20 10 DDCDLO COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708101431 699248896 /nfs/dbraw/zinc/24/88/96/699248896.db2.gz YWWNNRAXPBLAHR-VIFPVBQESA-N 1 2 324.602 1.905 20 10 DDCDLO O=C1C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CN1 ZINC000715778365 699276626 /nfs/dbraw/zinc/27/66/26/699276626.db2.gz KWJPGSHNMIMTBU-SSDOTTSWSA-N 1 2 317.158 1.520 20 10 DDCDLO CCC[N@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715724353 699276786 /nfs/dbraw/zinc/27/67/86/699276786.db2.gz JPPFEYYAMPLUTD-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715724353 699276788 /nfs/dbraw/zinc/27/67/88/699276788.db2.gz JPPFEYYAMPLUTD-UHFFFAOYSA-N 1 2 319.174 1.991 20 10 DDCDLO COc1cc(C)cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000754748592 700524298 /nfs/dbraw/zinc/52/42/98/700524298.db2.gz PBDYPBRPKYYAIQ-UHFFFAOYSA-N 1 2 313.419 1.718 20 10 DDCDLO COc1cc(C)cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000754748592 700524300 /nfs/dbraw/zinc/52/43/00/700524300.db2.gz PBDYPBRPKYYAIQ-UHFFFAOYSA-N 1 2 313.419 1.718 20 10 DDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1OC ZINC000768442586 701177661 /nfs/dbraw/zinc/17/76/61/701177661.db2.gz UJRCWJGBSDIWMH-UHFFFAOYSA-N 1 2 320.389 1.464 20 10 DDCDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1O ZINC000868282370 702040093 /nfs/dbraw/zinc/04/00/93/702040093.db2.gz VHPGWLSJOIINEV-ZDUSSCGKSA-N 1 2 321.421 1.863 20 10 DDCDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1O ZINC000868282370 702040101 /nfs/dbraw/zinc/04/01/01/702040101.db2.gz VHPGWLSJOIINEV-ZDUSSCGKSA-N 1 2 321.421 1.863 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816521567 702106127 /nfs/dbraw/zinc/10/61/27/702106127.db2.gz SHVSXXARYAQISG-SECBINFHSA-N 1 2 322.789 1.308 20 10 DDCDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816521567 702106130 /nfs/dbraw/zinc/10/61/30/702106130.db2.gz SHVSXXARYAQISG-SECBINFHSA-N 1 2 322.789 1.308 20 10 DDCDLO COCC[N@H+](CC(=O)N(C)C)Cc1c(O)cc(C)cc1Cl ZINC000840909925 702276795 /nfs/dbraw/zinc/27/67/95/702276795.db2.gz BXTAHDRJMMWPCO-UHFFFAOYSA-N 1 2 314.813 1.891 20 10 DDCDLO COCC[N@@H+](CC(=O)N(C)C)Cc1c(O)cc(C)cc1Cl ZINC000840909925 702276797 /nfs/dbraw/zinc/27/67/97/702276797.db2.gz BXTAHDRJMMWPCO-UHFFFAOYSA-N 1 2 314.813 1.891 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1OC ZINC000846117691 703239754 /nfs/dbraw/zinc/23/97/54/703239754.db2.gz DTVNRDCGPUFAFZ-MLGOLLRUSA-N 1 2 323.389 1.788 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1OC ZINC000846117691 703239757 /nfs/dbraw/zinc/23/97/57/703239757.db2.gz DTVNRDCGPUFAFZ-MLGOLLRUSA-N 1 2 323.389 1.788 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000846441594 703276772 /nfs/dbraw/zinc/27/67/72/703276772.db2.gz ABXYSNZHSORCMK-UHFFFAOYSA-N 1 2 316.405 1.946 20 10 DDCDLO COc1ccc(N(C)CCN(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000846441594 703276774 /nfs/dbraw/zinc/27/67/74/703276774.db2.gz ABXYSNZHSORCMK-UHFFFAOYSA-N 1 2 316.405 1.946 20 10 DDCDLO COc1ccc(N2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000819583911 704145122 /nfs/dbraw/zinc/14/51/22/704145122.db2.gz CACXSGMERRTRAG-AWEZNQCLSA-N 1 2 314.389 1.534 20 10 DDCDLO Cc1ccc(O)c(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000858373431 704701707 /nfs/dbraw/zinc/70/17/07/704701707.db2.gz GDQCCLIBEJJZMM-CYBMUJFWSA-N 1 2 300.362 1.711 20 10 DDCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000825709557 705719133 /nfs/dbraw/zinc/71/91/33/705719133.db2.gz XDUKRSPZCODXHP-SECBINFHSA-N 1 2 305.309 1.980 20 10 DDCDLO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C)C1 ZINC000877489823 706121790 /nfs/dbraw/zinc/12/17/90/706121790.db2.gz WLGQXMRGOYPNFW-QWRGUYRKSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@H](O)C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C)C1 ZINC000877489823 706121791 /nfs/dbraw/zinc/12/17/91/706121791.db2.gz WLGQXMRGOYPNFW-QWRGUYRKSA-N 1 2 300.349 1.557 20 10 DDCDLO Nc1ccc(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000832658862 706958096 /nfs/dbraw/zinc/95/80/96/706958096.db2.gz DYUJQOYTHPRMCC-KRWDZBQOSA-N 1 2 317.433 1.571 20 10 DDCDLO Nc1ccc(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000832658862 706958098 /nfs/dbraw/zinc/95/80/98/706958098.db2.gz DYUJQOYTHPRMCC-KRWDZBQOSA-N 1 2 317.433 1.571 20 10 DDCDLO COc1cc(C[NH+]2CCN([S@](C)(=N)=O)CC2)c(O)cc1C ZINC000872797992 707606072 /nfs/dbraw/zinc/60/60/72/707606072.db2.gz VLISLMVYQVGVOL-NRFANRHFSA-N 1 2 313.423 1.418 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1CS(N)(=O)=O ZINC000897609149 708392077 /nfs/dbraw/zinc/39/20/77/708392077.db2.gz DPBYITNQZQRUNT-KOLCDFICSA-N 1 2 318.826 1.402 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1CS(N)(=O)=O ZINC000897609149 708392080 /nfs/dbraw/zinc/39/20/80/708392080.db2.gz DPBYITNQZQRUNT-KOLCDFICSA-N 1 2 318.826 1.402 20 10 DDCDLO CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000912615713 713051994 /nfs/dbraw/zinc/05/19/94/713051994.db2.gz PHEFKUSHNDOPMW-GQCTYLIASA-N 1 2 301.346 1.859 20 10 DDCDLO COc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)c(O)c1OC ZINC000891608438 710247091 /nfs/dbraw/zinc/24/70/91/710247091.db2.gz DHYNGWTUJIAIAX-UHFFFAOYSA-N 1 2 323.393 1.209 20 10 DDCDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000895026678 711375048 /nfs/dbraw/zinc/37/50/48/711375048.db2.gz YSSZSRVYRZWESR-WDEREUQCSA-N 1 2 300.349 1.557 20 10 DDCDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000895026678 711375049 /nfs/dbraw/zinc/37/50/49/711375049.db2.gz YSSZSRVYRZWESR-WDEREUQCSA-N 1 2 300.349 1.557 20 10 DDCDLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccccc2O)n1 ZINC000915517971 713422053 /nfs/dbraw/zinc/42/20/53/713422053.db2.gz ODHBFDKQZRIVSQ-UHFFFAOYSA-N 1 2 320.418 1.910 20 10 DDCDLO NC(=O)COC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001119295092 757009906 /nfs/dbraw/zinc/00/99/06/757009906.db2.gz CWKYKXKGJYGAEZ-UHFFFAOYSA-N 1 2 300.305 1.137 20 10 DDCDLO COC(=O)N(C)CC[NH2+]Cc1cccc(Br)c1O ZINC000689569807 774732903 /nfs/dbraw/zinc/73/29/03/774732903.db2.gz LJHBZGBCHGCOKE-UHFFFAOYSA-N 1 2 317.183 1.943 20 10 DDCDLO CN1CCCc2cc(C[NH+]3CCN(S(C)(=O)=O)CC3)ccc21 ZINC001138357795 860074267 /nfs/dbraw/zinc/07/42/67/860074267.db2.gz KSWAQPCONUBYNV-UHFFFAOYSA-N 1 2 323.462 1.146 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cc(OC)cc1OC ZINC001141026544 860765309 /nfs/dbraw/zinc/76/53/09/860765309.db2.gz UQQPWPSBNDMIQG-APPDUMDISA-N 1 2 321.373 1.937 20 10 DDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cc(OC)cc1OC ZINC001141026544 860765314 /nfs/dbraw/zinc/76/53/14/860765314.db2.gz UQQPWPSBNDMIQG-APPDUMDISA-N 1 2 321.373 1.937 20 10 DDCDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001333336068 866644871 /nfs/dbraw/zinc/64/48/71/866644871.db2.gz MJMGMJAXJUDREE-AWEZNQCLSA-N 1 2 315.316 1.416 20 10 DDCDLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001333895152 867127468 /nfs/dbraw/zinc/12/74/68/867127468.db2.gz WYHWFXMCFCXIJE-AWEZNQCLSA-N 1 2 301.346 1.520 20 10 DDCDLO Oc1c(F)cccc1C[NH+]1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001276538605 873350321 /nfs/dbraw/zinc/35/03/21/873350321.db2.gz XGLSPYBDIUSOLH-UHFFFAOYSA-N 1 2 302.353 1.715 20 10 DDCDLO CN(C)C(=O)[C@@H]1CCSC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483994 885184068 /nfs/dbraw/zinc/18/40/68/885184068.db2.gz GLAJWHMMLHUUKP-LBPRGKRZSA-N 1 2 324.421 1.927 20 10 DDCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(O)c1O ZINC000287583733 291129947 /nfs/dbraw/zinc/12/99/47/291129947.db2.gz XPVHQVJUULKPCZ-RYUDHWBXSA-N 1 2 306.362 1.033 20 10 DDCDLO CS(=O)(=O)CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000270067849 408482593 /nfs/dbraw/zinc/48/25/93/408482593.db2.gz NFBXXQLHIPIZDH-UHFFFAOYSA-N 1 2 313.375 1.130 20 10 DDCDLO CS(=O)(=O)CC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000270067849 408482598 /nfs/dbraw/zinc/48/25/98/408482598.db2.gz NFBXXQLHIPIZDH-UHFFFAOYSA-N 1 2 313.375 1.130 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1OC ZINC000277301686 408915995 /nfs/dbraw/zinc/91/59/95/408915995.db2.gz AXDFFSGPYZSHSV-WIUDPPPLSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1OC ZINC000277301686 408915997 /nfs/dbraw/zinc/91/59/97/408915997.db2.gz AXDFFSGPYZSHSV-WIUDPPPLSA-N 1 2 313.419 1.752 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H](C(N)=O)O1 ZINC000294402160 409291127 /nfs/dbraw/zinc/29/11/27/409291127.db2.gz VYSPQIAVHLBYJV-KRTXAFLBSA-N 1 2 302.733 1.259 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H](C(N)=O)O1 ZINC000294402160 409291131 /nfs/dbraw/zinc/29/11/31/409291131.db2.gz VYSPQIAVHLBYJV-KRTXAFLBSA-N 1 2 302.733 1.259 20 10 DDCDLO COCC[N@@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295751385 409368296 /nfs/dbraw/zinc/36/82/96/409368296.db2.gz GZIJOYLMFVCLEZ-UHFFFAOYSA-N 1 2 312.341 1.031 20 10 DDCDLO COCC[N@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295751385 409368304 /nfs/dbraw/zinc/36/83/04/409368304.db2.gz GZIJOYLMFVCLEZ-UHFFFAOYSA-N 1 2 312.341 1.031 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H](C(N)=O)O1 ZINC000191444397 222101959 /nfs/dbraw/zinc/10/19/59/222101959.db2.gz COTBRHICXHFRMP-RDDDGLTNSA-N 1 2 302.733 1.259 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H](C(N)=O)O1 ZINC000191444397 222101962 /nfs/dbraw/zinc/10/19/62/222101962.db2.gz COTBRHICXHFRMP-RDDDGLTNSA-N 1 2 302.733 1.259 20 10 DDCDLO Cc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(O)c1O ZINC000370360420 418743010 /nfs/dbraw/zinc/74/30/10/418743010.db2.gz UFLAMAPQPIUDLC-LLVKDONJSA-N 1 2 301.346 1.769 20 10 DDCDLO Cc1cccc(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1O ZINC000364076690 418772704 /nfs/dbraw/zinc/77/27/04/418772704.db2.gz YIQLXCILGNPWBW-UHFFFAOYSA-N 1 2 317.433 1.616 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368963248 418726807 /nfs/dbraw/zinc/72/68/07/418726807.db2.gz ADEQFUFNNQWBOV-VZJVUDMVSA-N 1 2 320.364 1.820 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368963248 418726809 /nfs/dbraw/zinc/72/68/09/418726809.db2.gz ADEQFUFNNQWBOV-VZJVUDMVSA-N 1 2 320.364 1.820 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1F ZINC000188614809 520895602 /nfs/dbraw/zinc/89/56/02/520895602.db2.gz XHHPYFQQMCGAGF-XJKSGUPXSA-N 1 2 324.396 1.780 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1F ZINC000188614809 520895607 /nfs/dbraw/zinc/89/56/07/520895607.db2.gz XHHPYFQQMCGAGF-XJKSGUPXSA-N 1 2 324.396 1.780 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000779143533 698398803 /nfs/dbraw/zinc/39/88/03/698398803.db2.gz KLDRFNBQXTZAAW-DZGCQCFKSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000779143533 698398806 /nfs/dbraw/zinc/39/88/06/698398806.db2.gz KLDRFNBQXTZAAW-DZGCQCFKSA-N 1 2 323.389 1.943 20 10 DDCDLO COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708097968 699248479 /nfs/dbraw/zinc/24/84/79/699248479.db2.gz BCTRNULELOPYNN-SECBINFHSA-N 1 2 324.602 1.905 20 10 DDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467792 701246125 /nfs/dbraw/zinc/24/61/25/701246125.db2.gz YOAAGUOAYZZOTF-ZCCHDVMBSA-N 1 2 322.474 1.865 20 10 DDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769467792 701246126 /nfs/dbraw/zinc/24/61/26/701246126.db2.gz YOAAGUOAYZZOTF-ZCCHDVMBSA-N 1 2 322.474 1.865 20 10 DDCDLO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816574306 702116547 /nfs/dbraw/zinc/11/65/47/702116547.db2.gz CMDPDATYHGBLGV-UHFFFAOYSA-N 1 2 322.789 1.166 20 10 DDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(OC)c1 ZINC000879461576 706686132 /nfs/dbraw/zinc/68/61/32/706686132.db2.gz FUBFRFBBKGILBK-HNNXBMFYSA-N 1 2 319.405 1.057 20 10 DDCDLO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(O)c1O ZINC000854727577 704445066 /nfs/dbraw/zinc/44/50/66/704445066.db2.gz LWQNUXQFVAADGW-ZDUSSCGKSA-N 1 2 320.389 1.343 20 10 DDCDLO COc1ccc(N2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000855230317 704474201 /nfs/dbraw/zinc/47/42/01/704474201.db2.gz GERUSKNVXVDXGA-AWEZNQCLSA-N 1 2 314.389 1.677 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835028076 707158732 /nfs/dbraw/zinc/15/87/32/707158732.db2.gz JFFOOGFTXKHIHV-SHCNBLLESA-N 1 2 317.433 1.603 20 10 DDCDLO CC(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835028076 707158736 /nfs/dbraw/zinc/15/87/36/707158736.db2.gz JFFOOGFTXKHIHV-SHCNBLLESA-N 1 2 317.433 1.603 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000835045785 707162361 /nfs/dbraw/zinc/16/23/61/707162361.db2.gz ZDTJXYPPWILUJH-ABCZVMIZSA-N 1 2 314.389 1.002 20 10 DDCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000835045785 707162364 /nfs/dbraw/zinc/16/23/64/707162364.db2.gz ZDTJXYPPWILUJH-ABCZVMIZSA-N 1 2 314.389 1.002 20 10 DDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000838744011 707972245 /nfs/dbraw/zinc/97/22/45/707972245.db2.gz ZKMOEAGOTANULR-LLVKDONJSA-N 1 2 318.377 1.737 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3O)C[C@H]2C1 ZINC000897617837 708395264 /nfs/dbraw/zinc/39/52/64/708395264.db2.gz DTPOPSKPRARVBN-AOOOYVTPSA-N 1 2 303.330 1.147 20 10 DDCDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3O)C[C@H]2C1 ZINC000897617837 708395266 /nfs/dbraw/zinc/39/52/66/708395266.db2.gz DTPOPSKPRARVBN-AOOOYVTPSA-N 1 2 303.330 1.147 20 10 DDCDLO COc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000912293495 711264106 /nfs/dbraw/zinc/26/41/06/711264106.db2.gz YJSSMAHQCHKLMR-GFCCVEGCSA-N 1 2 300.362 1.356 20 10 DDCDLO CNC(=O)C1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000895886100 711637618 /nfs/dbraw/zinc/63/76/18/711637618.db2.gz YFUKQOLGGTVIML-UHFFFAOYSA-N 1 2 316.760 1.570 20 10 DDCDLO [NH3+][C@@]1(CO)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000904402399 711853342 /nfs/dbraw/zinc/85/33/42/711853342.db2.gz PMFZXYPRLYXJKA-ZDUSSCGKSA-N 1 2 305.205 1.985 20 10 DDCDLO C/C(=C\C(=O)N1Cc2cccc(O)c2C1)C[NH+]1CCOCC1 ZINC000913726133 713289888 /nfs/dbraw/zinc/28/98/88/713289888.db2.gz IQMKAFSXQAFTIH-UKTHLTGXSA-N 1 2 302.374 1.513 20 10 DDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000925615655 714900829 /nfs/dbraw/zinc/90/08/29/714900829.db2.gz HGTSRYNOXJSJIM-CQSZACIVSA-N 1 2 319.405 1.528 20 10 DDCDLO CC(C)(O)C[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140584839 734804479 /nfs/dbraw/zinc/80/44/79/734804479.db2.gz GKNOIBCTZKGPSP-UHFFFAOYSA-N 1 2 300.349 1.559 20 10 DDCDLO COC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878057 747170137 /nfs/dbraw/zinc/17/01/37/747170137.db2.gz PIASNPUYFYHZQW-CYBMUJFWSA-N 1 2 303.362 1.577 20 10 DDCDLO COC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(C)nc21 ZINC001203878057 747170141 /nfs/dbraw/zinc/17/01/41/747170141.db2.gz PIASNPUYFYHZQW-CYBMUJFWSA-N 1 2 303.362 1.577 20 10 DDCDLO O=C(CCc1[nH]cc[nH+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001177994878 778829980 /nfs/dbraw/zinc/82/99/80/778829980.db2.gz LVLDLQFKKIOURB-UHFFFAOYSA-N 1 2 301.346 1.729 20 10 DDCDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001272386558 846091775 /nfs/dbraw/zinc/09/17/75/846091775.db2.gz NBHPHLFTUHGSNT-UHFFFAOYSA-N 1 2 320.389 1.311 20 10 DDCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3cc(C)ccc3O)C2)OCC1=O ZINC001272622746 846422280 /nfs/dbraw/zinc/42/22/80/846422280.db2.gz QNGBAGOVNSLWCP-CQSZACIVSA-N 1 2 318.417 1.912 20 10 DDCDLO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1O ZINC001277457375 884517187 /nfs/dbraw/zinc/51/71/87/884517187.db2.gz MLMFWKXOTSGIEV-RNCFNFMXSA-N 1 2 311.179 1.604 20 10 DDCDLO NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Br)ccc1O ZINC001277457375 884517193 /nfs/dbraw/zinc/51/71/93/884517193.db2.gz MLMFWKXOTSGIEV-RNCFNFMXSA-N 1 2 311.179 1.604 20 10 DDCDLO C[N@H+]1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3O)C[C@@H](C1)O2 ZINC001276497376 872636206 /nfs/dbraw/zinc/63/62/06/872636206.db2.gz JAKKRVHGNIPISU-TXEJJXNPSA-N 1 2 316.323 1.926 20 10 DDCDLO C[N@@H+]1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3O)C[C@@H](C1)O2 ZINC001276497376 872636211 /nfs/dbraw/zinc/63/62/11/872636211.db2.gz JAKKRVHGNIPISU-TXEJJXNPSA-N 1 2 316.323 1.926 20 10 DDCDLO COc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)o2)c(O)c1 ZINC001217717733 877286756 /nfs/dbraw/zinc/28/67/56/877286756.db2.gz DTWXRTOGMCGXLY-UHFFFAOYSA-N 1 2 319.361 1.968 20 10 DDCDLO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276830189 880468790 /nfs/dbraw/zinc/46/87/90/880468790.db2.gz IJACRGRWUOEQIT-INIZCTEOSA-N 1 2 308.378 1.100 20 10 DDCDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276830189 880468794 /nfs/dbraw/zinc/46/87/94/880468794.db2.gz IJACRGRWUOEQIT-INIZCTEOSA-N 1 2 308.378 1.100 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001231853382 885906949 /nfs/dbraw/zinc/90/69/49/885906949.db2.gz JJETXBSASOVBAP-CQSZACIVSA-N 1 2 312.435 1.380 20 10 DDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001231853382 885906968 /nfs/dbraw/zinc/90/69/68/885906968.db2.gz JJETXBSASOVBAP-CQSZACIVSA-N 1 2 312.435 1.380 20 10 DDCDLO CCc1ccc(C[N@@H+]2CCc3c(nnn3C)[C@@H]2COC)c(O)c1 ZINC001236785661 889353687 /nfs/dbraw/zinc/35/36/87/889353687.db2.gz ANJITQQDWVTPGC-HNNXBMFYSA-N 1 2 316.405 1.829 20 10 DDCDLO CCc1ccc(C[N@H+]2CCc3c(nnn3C)[C@@H]2COC)c(O)c1 ZINC001236785661 889353698 /nfs/dbraw/zinc/35/36/98/889353698.db2.gz ANJITQQDWVTPGC-HNNXBMFYSA-N 1 2 316.405 1.829 20 10 DDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)[C@H](C(=O)OC)C1 ZINC001237489991 889668624 /nfs/dbraw/zinc/66/86/24/889668624.db2.gz ONQIYQRCQRPEQL-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)[C@H](C(=O)OC)C1 ZINC001237489991 889668626 /nfs/dbraw/zinc/66/86/26/889668626.db2.gz ONQIYQRCQRPEQL-OCCSQVGLSA-N 1 2 321.373 1.627 20 10 DDCDLO CCC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237671620 889794213 /nfs/dbraw/zinc/79/42/13/889794213.db2.gz CVTHPBHBAQVESI-UHFFFAOYSA-N 1 2 308.378 1.464 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093441248 407199145 /nfs/dbraw/zinc/19/91/45/407199145.db2.gz ARSWSCYPKVWIEO-IRXDYDNUSA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093441248 407199147 /nfs/dbraw/zinc/19/91/47/407199147.db2.gz ARSWSCYPKVWIEO-IRXDYDNUSA-N 1 2 318.417 1.785 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511607 409293265 /nfs/dbraw/zinc/29/32/65/409293265.db2.gz ISUYJFODNUAEEL-JKSUJKDBSA-N 1 2 306.406 1.559 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294511607 409293268 /nfs/dbraw/zinc/29/32/68/409293268.db2.gz ISUYJFODNUAEEL-JKSUJKDBSA-N 1 2 306.406 1.559 20 10 DDCDLO CNC(=O)CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000376832003 418701567 /nfs/dbraw/zinc/70/15/67/418701567.db2.gz LJALJQFSFMNDEY-UHFFFAOYSA-N 1 2 311.813 1.299 20 10 DDCDLO CNC(=O)CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000376832003 418701570 /nfs/dbraw/zinc/70/15/70/418701570.db2.gz LJALJQFSFMNDEY-UHFFFAOYSA-N 1 2 311.813 1.299 20 10 DDCDLO O=C(NCC[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000134225262 696835637 /nfs/dbraw/zinc/83/56/37/696835637.db2.gz GXOWEWQVGACVRP-UHFFFAOYSA-N 1 2 313.195 1.771 20 10 DDCDLO COc1c(O)c(C[N@@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000774875131 697936605 /nfs/dbraw/zinc/93/66/05/697936605.db2.gz INOHOYAYFRWTDR-UHFFFAOYSA-N 1 2 310.306 1.258 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000774875131 697936609 /nfs/dbraw/zinc/93/66/09/697936609.db2.gz INOHOYAYFRWTDR-UHFFFAOYSA-N 1 2 310.306 1.258 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000800537883 700231692 /nfs/dbraw/zinc/23/16/92/700231692.db2.gz HNTOBPBMPYLKGF-CQSZACIVSA-N 1 2 303.406 1.186 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000800537883 700231696 /nfs/dbraw/zinc/23/16/96/700231696.db2.gz HNTOBPBMPYLKGF-CQSZACIVSA-N 1 2 303.406 1.186 20 10 DDCDLO NS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000785986849 699115688 /nfs/dbraw/zinc/11/56/88/699115688.db2.gz ZGWFMPIPBULXQA-UHFFFAOYSA-N 1 2 322.789 1.438 20 10 DDCDLO CCOc1ccc(C[N@H+](C)Cc2nnc3n2CCC3)c(O)c1 ZINC000768224322 701164223 /nfs/dbraw/zinc/16/42/23/701164223.db2.gz WVKLPUBWASGNFI-UHFFFAOYSA-N 1 2 302.378 1.961 20 10 DDCDLO CCOc1ccc(C[N@@H+](C)Cc2nnc3n2CCC3)c(O)c1 ZINC000768224322 701164225 /nfs/dbraw/zinc/16/42/25/701164225.db2.gz WVKLPUBWASGNFI-UHFFFAOYSA-N 1 2 302.378 1.961 20 10 DDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OCC)c2O)CCO1 ZINC000769465469 701245880 /nfs/dbraw/zinc/24/58/80/701245880.db2.gz DEYJEDGDAPGJIN-CQSZACIVSA-N 1 2 309.362 1.555 20 10 DDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(OCC)c2O)CCO1 ZINC000769465469 701245881 /nfs/dbraw/zinc/24/58/81/701245881.db2.gz DEYJEDGDAPGJIN-CQSZACIVSA-N 1 2 309.362 1.555 20 10 DDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@H](C)O1 ZINC000839573934 701742095 /nfs/dbraw/zinc/74/20/95/701742095.db2.gz HSGUMGWFLDZJAB-ILXRZTDVSA-N 1 2 319.449 1.867 20 10 DDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@H](C)O1 ZINC000839573934 701742099 /nfs/dbraw/zinc/74/20/99/701742099.db2.gz HSGUMGWFLDZJAB-ILXRZTDVSA-N 1 2 319.449 1.867 20 10 DDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cc(Cl)ccc1O ZINC000869145846 702479129 /nfs/dbraw/zinc/47/91/29/702479129.db2.gz BIYUCSGFIKQLRA-UPHRSURJSA-N 1 2 310.781 1.550 20 10 DDCDLO O[C@H](CNc1ccccc1OCC(F)F)C[NH+]1CCOCC1 ZINC000819460092 704129670 /nfs/dbraw/zinc/12/96/70/704129670.db2.gz DNEKYVJLNDNCPJ-GFCCVEGCSA-N 1 2 316.348 1.436 20 10 DDCDLO O=S1(=O)CCN(c2ccc(CNc3cccc[nH+]3)cc2)CC1 ZINC000853792032 704315922 /nfs/dbraw/zinc/31/59/22/704315922.db2.gz SNPSLSMRNFDSIG-UHFFFAOYSA-N 1 2 317.414 1.929 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000824625262 705495879 /nfs/dbraw/zinc/49/58/79/705495879.db2.gz HWSOTHUMYKNQDG-NSHDSACASA-N 1 2 316.195 1.656 20 10 DDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000824625262 705495880 /nfs/dbraw/zinc/49/58/80/705495880.db2.gz HWSOTHUMYKNQDG-NSHDSACASA-N 1 2 316.195 1.656 20 10 DDCDLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895797893 711608820 /nfs/dbraw/zinc/60/88/20/711608820.db2.gz TWQBNFQZWPMPCI-HQJQHLMTSA-N 1 2 307.774 1.707 20 10 DDCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC001116368743 780500205 /nfs/dbraw/zinc/50/02/05/780500205.db2.gz DORCFWXDPDXOCE-CQSZACIVSA-N 1 2 317.433 1.874 20 10 DDCDLO OC[C@@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660640 860669384 /nfs/dbraw/zinc/66/93/84/860669384.db2.gz YYFDDDVBRGYXMQ-MRXNPFEDSA-N 1 2 312.360 1.569 20 10 DDCDLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660640 860669388 /nfs/dbraw/zinc/66/93/88/860669388.db2.gz YYFDDDVBRGYXMQ-MRXNPFEDSA-N 1 2 312.360 1.569 20 10 DDCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(C)OC)CC2)cc1 ZINC001320602938 866876529 /nfs/dbraw/zinc/87/65/29/866876529.db2.gz XZSLFIYDAACEHZ-UHFFFAOYSA-N 1 2 307.394 1.227 20 10 DDCDLO C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC001336800362 869150666 /nfs/dbraw/zinc/15/06/66/869150666.db2.gz PWYRGBXGXIJGRI-OLZOCXBDSA-N 1 2 306.410 1.177 20 10 DDCDLO CCOC(=O)/C=C/C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000316558228 879414071 /nfs/dbraw/zinc/41/40/71/879414071.db2.gz NMWZRHKLEIYVGB-SNAWJCMRSA-N 1 2 304.390 1.937 20 10 DDCDLO COCCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233077452 886774384 /nfs/dbraw/zinc/77/43/84/886774384.db2.gz PGQPICGARQUILC-UHFFFAOYSA-N 1 2 300.349 1.825 20 10 DDCDLO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC(=O)N1 ZINC001233728726 887254098 /nfs/dbraw/zinc/25/40/98/887254098.db2.gz ZMJRIBFCOWWTDX-QMMMGPOBSA-N 1 2 304.268 1.611 20 10 DDCDLO C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC(=O)N1 ZINC001233728726 887254115 /nfs/dbraw/zinc/25/41/15/887254115.db2.gz ZMJRIBFCOWWTDX-QMMMGPOBSA-N 1 2 304.268 1.611 20 10 DDCDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760304 887288861 /nfs/dbraw/zinc/28/88/61/887288861.db2.gz DIZXMQUDMNVAGU-VIFPVBQESA-N 1 2 318.295 1.953 20 10 DDCDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760304 887288875 /nfs/dbraw/zinc/28/88/75/887288875.db2.gz DIZXMQUDMNVAGU-VIFPVBQESA-N 1 2 318.295 1.953 20 10 DDCDLO COC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)nn1C ZINC001237574228 889712239 /nfs/dbraw/zinc/71/22/39/889712239.db2.gz YTLGRVQXNIXYIE-UHFFFAOYSA-N 1 2 301.346 1.471 20 10 DDCDLO COC(=O)c1cc(C[N@H+]2CCc3cccc(O)c3C2)nn1C ZINC001237574228 889712249 /nfs/dbraw/zinc/71/22/49/889712249.db2.gz YTLGRVQXNIXYIE-UHFFFAOYSA-N 1 2 301.346 1.471 20 10 DDCDLO CCn1ccc(-c2cnn(CC[NH+]3CCOCC3)c2)cc1=O ZINC001240546014 890979805 /nfs/dbraw/zinc/97/98/05/890979805.db2.gz FOOGXGUBMQBPNR-UHFFFAOYSA-N 1 2 302.378 1.064 20 10 DDCDLO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC(=O)N1 ZINC001249223807 893880386 /nfs/dbraw/zinc/88/03/86/893880386.db2.gz NCAJFBPAXCQLIJ-LLVKDONJSA-N 1 2 302.374 1.897 20 10 DDCDLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC(=O)N1 ZINC001249223807 893880402 /nfs/dbraw/zinc/88/04/02/893880402.db2.gz NCAJFBPAXCQLIJ-LLVKDONJSA-N 1 2 302.374 1.897 20 10 DDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H](C)CCSC ZINC001258198137 898103421 /nfs/dbraw/zinc/10/34/21/898103421.db2.gz HCJXWACFHLGGBL-JQWIXIFHSA-N 1 2 313.419 1.913 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CCN(C(C)C)C(=O)C2)cc1OC ZINC000272480505 130034115 /nfs/dbraw/zinc/03/41/15/130034115.db2.gz OJHFTKYBOGVTPI-UHFFFAOYSA-N 1 2 308.378 1.462 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CCN(C(C)C)C(=O)C2)cc1OC ZINC000272480505 130034118 /nfs/dbraw/zinc/03/41/18/130034118.db2.gz OJHFTKYBOGVTPI-UHFFFAOYSA-N 1 2 308.378 1.462 20 10 DDCDLO CCOCc1cc(C[NH2+]Cc2cc(C(N)=O)no2)ccc1OC ZINC000273372270 130112710 /nfs/dbraw/zinc/11/27/10/130112710.db2.gz GDLDOIUNWZXTGF-UHFFFAOYSA-N 1 2 319.361 1.608 20 10 DDCDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000071004469 406830834 /nfs/dbraw/zinc/83/08/34/406830834.db2.gz OGJPDMMHVROWRD-UHFFFAOYSA-N 1 2 302.378 1.847 20 10 DDCDLO Cc1nnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000071004469 406830837 /nfs/dbraw/zinc/83/08/37/406830837.db2.gz OGJPDMMHVROWRD-UHFFFAOYSA-N 1 2 302.378 1.847 20 10 DDCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093441568 407198102 /nfs/dbraw/zinc/19/81/02/407198102.db2.gz IGYYBJFXRQYCHI-HOTGVXAUSA-N 1 2 306.406 1.641 20 10 DDCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093441568 407198104 /nfs/dbraw/zinc/19/81/04/407198104.db2.gz IGYYBJFXRQYCHI-HOTGVXAUSA-N 1 2 306.406 1.641 20 10 DDCDLO Cc1cc(O)c(C[N@H+]2CCN(c3cnn(C)c3)C(=O)C2)cc1C ZINC000176174415 408301240 /nfs/dbraw/zinc/30/12/40/408301240.db2.gz TXQHIINNOSMMOP-UHFFFAOYSA-N 1 2 314.389 1.591 20 10 DDCDLO Cc1cc(O)c(C[N@@H+]2CCN(c3cnn(C)c3)C(=O)C2)cc1C ZINC000176174415 408301248 /nfs/dbraw/zinc/30/12/48/408301248.db2.gz TXQHIINNOSMMOP-UHFFFAOYSA-N 1 2 314.389 1.591 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000185205436 408780205 /nfs/dbraw/zinc/78/02/05/408780205.db2.gz AUBMJWAYYBVBST-INIZCTEOSA-N 1 2 309.337 1.725 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000185205436 408780206 /nfs/dbraw/zinc/78/02/06/408780206.db2.gz AUBMJWAYYBVBST-INIZCTEOSA-N 1 2 309.337 1.725 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184542 408824624 /nfs/dbraw/zinc/82/46/24/408824624.db2.gz IKNVFFSHALFIDD-CABCVRRESA-N 1 2 310.369 1.390 20 10 DDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276184542 408824625 /nfs/dbraw/zinc/82/46/25/408824625.db2.gz IKNVFFSHALFIDD-CABCVRRESA-N 1 2 310.369 1.390 20 10 DDCDLO COCC1(O)C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000297326099 409910756 /nfs/dbraw/zinc/91/07/56/409910756.db2.gz DLLXFBDQELFQCS-UHFFFAOYSA-N 1 2 302.168 1.348 20 10 DDCDLO COc1c(O)c(CN2CCn3cc(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000373911535 418470441 /nfs/dbraw/zinc/47/04/41/418470441.db2.gz RGPYWRSWMSCQOC-UHFFFAOYSA-N 1 2 318.333 1.830 20 10 DDCDLO Cc1[nH+]ccn1CCCCNC(=O)c1c(F)ccc(O)c1O ZINC000276537632 222507803 /nfs/dbraw/zinc/50/78/03/222507803.db2.gz IMVYPUYHSGZCAE-UHFFFAOYSA-N 1 2 307.325 1.952 20 10 DDCDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000372743804 418898513 /nfs/dbraw/zinc/89/85/13/418898513.db2.gz RKLZUCOTTZMDBN-SNVBAGLBSA-N 1 2 304.799 1.299 20 10 DDCDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000372743804 418898515 /nfs/dbraw/zinc/89/85/15/418898515.db2.gz RKLZUCOTTZMDBN-SNVBAGLBSA-N 1 2 304.799 1.299 20 10 DDCDLO COc1cc(O)c(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1OC ZINC000377303369 295004469 /nfs/dbraw/zinc/00/44/69/295004469.db2.gz CMNQYJYGIDWCOF-MQJDWESPSA-N 1 2 313.419 1.752 20 10 DDCDLO COc1cc(O)c(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1OC ZINC000377303369 295004472 /nfs/dbraw/zinc/00/44/72/295004472.db2.gz CMNQYJYGIDWCOF-MQJDWESPSA-N 1 2 313.419 1.752 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000188791118 523998352 /nfs/dbraw/zinc/99/83/52/523998352.db2.gz GVRSLNKGVVTWCH-QWHCGFSZSA-N 1 2 313.781 1.852 20 10 DDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000188791118 523998356 /nfs/dbraw/zinc/99/83/56/523998356.db2.gz GVRSLNKGVVTWCH-QWHCGFSZSA-N 1 2 313.781 1.852 20 10 DDCDLO COC(=O)COc1ccc(N(C)CCCn2cc[nH+]c2)cc1 ZINC000183799432 697494114 /nfs/dbraw/zinc/49/41/14/697494114.db2.gz XIHSKWNBIWIXEM-UHFFFAOYSA-N 1 2 303.362 1.961 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000773824917 697809107 /nfs/dbraw/zinc/80/91/07/697809107.db2.gz VZQMUPWKQCDOLP-CQSZACIVSA-N 1 2 305.422 1.168 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccccc1O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000774067326 697839480 /nfs/dbraw/zinc/83/94/80/697839480.db2.gz XZNNOLFMPHWVFF-GJZGRUSLSA-N 1 2 306.406 1.898 20 10 DDCDLO CC[C@@H](C(=O)NCc1ccccc1O)[N@H+]1CCO[C@@H](CC)C1 ZINC000774067326 697839484 /nfs/dbraw/zinc/83/94/84/697839484.db2.gz XZNNOLFMPHWVFF-GJZGRUSLSA-N 1 2 306.406 1.898 20 10 DDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715726548 699276560 /nfs/dbraw/zinc/27/65/60/699276560.db2.gz UPWVZXXXSISKKS-UHFFFAOYSA-N 1 2 319.174 1.814 20 10 DDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715726548 699276562 /nfs/dbraw/zinc/27/65/62/699276562.db2.gz UPWVZXXXSISKKS-UHFFFAOYSA-N 1 2 319.174 1.814 20 10 DDCDLO C[C@](O)(CO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715789858 699277225 /nfs/dbraw/zinc/27/72/25/699277225.db2.gz SBGNATNBOKFCQP-LLVKDONJSA-N 1 2 308.147 1.127 20 10 DDCDLO Cc1nc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OC[C@@H]3O)no1 ZINC000768451067 701178430 /nfs/dbraw/zinc/17/84/30/701178430.db2.gz LQUBVCHUVQIFLW-LBPRGKRZSA-N 1 2 305.334 1.534 20 10 DDCDLO CCOc1ccc(C[N@H+](C)CCS(=O)(=O)CC)c(O)c1 ZINC000769483692 701247198 /nfs/dbraw/zinc/24/71/98/701247198.db2.gz ARCQXALWLMKUHB-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CCOc1ccc(C[N@@H+](C)CCS(=O)(=O)CC)c(O)c1 ZINC000769483692 701247199 /nfs/dbraw/zinc/24/71/99/701247199.db2.gz ARCQXALWLMKUHB-UHFFFAOYSA-N 1 2 301.408 1.657 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC000808752074 701535203 /nfs/dbraw/zinc/53/52/03/701535203.db2.gz WSNXHORKADWQBV-IINYFYTJSA-N 1 2 313.781 1.423 20 10 DDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC000808752074 701535204 /nfs/dbraw/zinc/53/52/04/701535204.db2.gz WSNXHORKADWQBV-IINYFYTJSA-N 1 2 313.781 1.423 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)cc1Cl ZINC000826113111 705774002 /nfs/dbraw/zinc/77/40/02/705774002.db2.gz IMEOSVOKYZWYDX-UHFFFAOYSA-N 1 2 321.768 1.101 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876722004 705838666 /nfs/dbraw/zinc/83/86/66/705838666.db2.gz ZNICHMBXTCYEMB-SECBINFHSA-N 1 2 320.361 1.171 20 10 DDCDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876722004 705838671 /nfs/dbraw/zinc/83/86/71/705838671.db2.gz ZNICHMBXTCYEMB-SECBINFHSA-N 1 2 320.361 1.171 20 10 DDCDLO COc1c(O)c(C[N@H+]2CCSC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000877780310 706208648 /nfs/dbraw/zinc/20/86/48/706208648.db2.gz MKVLDHVKIJYHDO-JTQLQIEISA-N 1 2 314.363 1.219 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000878810712 706505782 /nfs/dbraw/zinc/50/57/82/706505782.db2.gz ISISROSUWUXVHF-UHFFFAOYSA-N 1 2 300.410 1.189 20 10 DDCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000878810712 706505785 /nfs/dbraw/zinc/50/57/85/706505785.db2.gz ISISROSUWUXVHF-UHFFFAOYSA-N 1 2 300.410 1.189 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000878812406 706506443 /nfs/dbraw/zinc/50/64/43/706506443.db2.gz WKIILGXGLBMNOG-UHFFFAOYSA-N 1 2 314.437 1.579 20 10 DDCDLO CCN(C)c1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000878812406 706506445 /nfs/dbraw/zinc/50/64/45/706506445.db2.gz WKIILGXGLBMNOG-UHFFFAOYSA-N 1 2 314.437 1.579 20 10 DDCDLO Cc1cc(O)c(C[NH+]2CC(C3CS(=O)(=O)C3)C2)c(Cl)c1 ZINC000895424431 711509366 /nfs/dbraw/zinc/50/93/66/711509366.db2.gz XEOONHQKHSKHCE-UHFFFAOYSA-N 1 2 315.822 1.830 20 10 DDCDLO C/C(=C/C(=O)N[C@@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000913763821 713297569 /nfs/dbraw/zinc/29/75/69/713297569.db2.gz SIDQIEJDGXASSM-FZDNWWAKSA-N 1 2 304.390 1.848 20 10 DDCDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC001197758736 747248095 /nfs/dbraw/zinc/24/80/95/747248095.db2.gz LELRAKUDEBDPRH-ZDUSSCGKSA-N 1 2 323.368 1.627 20 10 DDCDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC001197758736 747248103 /nfs/dbraw/zinc/24/81/03/747248103.db2.gz LELRAKUDEBDPRH-ZDUSSCGKSA-N 1 2 323.368 1.627 20 10 DDCDLO COc1c(O)c(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)ccc1[N+](=O)[O-] ZINC000826889893 759418913 /nfs/dbraw/zinc/41/89/13/759418913.db2.gz ZRGGJAMKTDVFNU-SCZZXKLOSA-N 1 2 319.321 1.696 20 10 DDCDLO Cc1ccc(C[NH+]2CC3(C2)CN(CC(C)C)C(=O)CO3)c(O)c1 ZINC001272765774 847395935 /nfs/dbraw/zinc/39/59/35/847395935.db2.gz JWVYIYUQPNJKLC-UHFFFAOYSA-N 1 2 318.417 1.770 20 10 DDCDLO CCCCN1CC2(C[NH+](Cc3cccc(C)c3O)C2)OCC1=O ZINC001273770483 851324435 /nfs/dbraw/zinc/32/44/35/851324435.db2.gz RWFRPGALPBMETN-UHFFFAOYSA-N 1 2 318.417 1.914 20 10 DDCDLO CN1CCOc2cc(C[NH+]3CCC(S(C)(=O)=O)CC3)ccc21 ZINC001141143742 860793739 /nfs/dbraw/zinc/79/37/39/860793739.db2.gz IOZVTQWWIZPYPB-UHFFFAOYSA-N 1 2 324.446 1.524 20 10 DDCDLO CCOC(=O)n1nc2c(c1Nc1ccc(N)cn1)C[NH2+]C2(C)C ZINC001159655061 865451974 /nfs/dbraw/zinc/45/19/74/865451974.db2.gz QCTYCLCEJYICOK-UHFFFAOYSA-N 1 2 316.365 1.947 20 10 DDCDLO c1ccc(-n2nnnc2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001308252148 871484405 /nfs/dbraw/zinc/48/44/05/871484405.db2.gz VEYJMVOXWQHBLS-UHFFFAOYSA-N 1 2 307.357 1.887 20 10 DDCDLO CN(C)C(=O)[C@H]1CCSC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483993 885182323 /nfs/dbraw/zinc/18/23/23/885182323.db2.gz GLAJWHMMLHUUKP-GFCCVEGCSA-N 1 2 324.421 1.927 20 10 DDCDLO Cc1cc[nH+]c(N2CCN(Cc3cc(O)c(O)c(O)c3)CC2)c1 ZINC001233013809 886724355 /nfs/dbraw/zinc/72/43/55/886724355.db2.gz URTVSOGRXMNZCR-UHFFFAOYSA-N 1 2 315.373 1.829 20 10 DDCDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483949 887016117 /nfs/dbraw/zinc/01/61/17/887016117.db2.gz RWGDUGYKLAGJKA-LLVKDONJSA-N 1 2 319.361 1.278 20 10 DDCDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483949 887016131 /nfs/dbraw/zinc/01/61/31/887016131.db2.gz RWGDUGYKLAGJKA-LLVKDONJSA-N 1 2 319.361 1.278 20 10 DDCDLO NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237620673 889763817 /nfs/dbraw/zinc/76/38/17/889763817.db2.gz WTZKDSVKMWWXFJ-UHFFFAOYSA-N 1 2 301.749 1.817 20 10 DDCDLO CC[C@@]1(C(=O)OC)C[C@H](N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC001246901589 892978370 /nfs/dbraw/zinc/97/83/70/892978370.db2.gz OJPMELIMXTUNGO-WMZOPIPTSA-N 1 2 319.449 1.868 20 10 DDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275747786 130377742 /nfs/dbraw/zinc/37/77/42/130377742.db2.gz RKVMHYOLHJPYDK-NXEZZACHSA-N 1 2 304.350 1.719 20 10 DDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH+]cn1C ZINC000281390703 408884301 /nfs/dbraw/zinc/88/43/01/408884301.db2.gz YXLKPVZSLIPFOW-NSHDSACASA-N 1 2 303.362 1.511 20 10 DDCDLO COCCn1nnc2c1CC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC000293660962 409155498 /nfs/dbraw/zinc/15/54/98/409155498.db2.gz NVUYPBUWQXYZQI-UHFFFAOYSA-N 1 2 318.377 1.197 20 10 DDCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC000293660962 409155500 /nfs/dbraw/zinc/15/55/00/409155500.db2.gz NVUYPBUWQXYZQI-UHFFFAOYSA-N 1 2 318.377 1.197 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2cc(OC)ccc2O)n1 ZINC000373493041 418434091 /nfs/dbraw/zinc/43/40/91/418434091.db2.gz GYNBKALTCGSSFM-WCQYABFASA-N 1 2 319.361 1.654 20 10 DDCDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2cc(OC)ccc2O)n1 ZINC000373493041 418434093 /nfs/dbraw/zinc/43/40/93/418434093.db2.gz GYNBKALTCGSSFM-WCQYABFASA-N 1 2 319.361 1.654 20 10 DDCDLO Nc1ccc(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000237892003 222208982 /nfs/dbraw/zinc/20/89/82/222208982.db2.gz WDXJTQZWHKCTHZ-UHFFFAOYSA-N 1 2 310.401 1.551 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000375331746 418629812 /nfs/dbraw/zinc/62/98/12/418629812.db2.gz LWDVUEDBUSBMOD-QGZVFWFLSA-N 1 2 317.433 1.480 20 10 DDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000375331746 418629816 /nfs/dbraw/zinc/62/98/16/418629816.db2.gz LWDVUEDBUSBMOD-QGZVFWFLSA-N 1 2 317.433 1.480 20 10 DDCDLO Cc1cccc(C[N@@H+]2CCn3c(nnc3-c3cnn(C)c3)C2)c1O ZINC000378436133 418722191 /nfs/dbraw/zinc/72/21/91/418722191.db2.gz BJUJSWLOINEJTO-UHFFFAOYSA-N 1 2 324.388 1.708 20 10 DDCDLO Cc1cccc(C[N@H+]2CCn3c(nnc3-c3cnn(C)c3)C2)c1O ZINC000378436133 418722196 /nfs/dbraw/zinc/72/21/96/418722196.db2.gz BJUJSWLOINEJTO-UHFFFAOYSA-N 1 2 324.388 1.708 20 10 DDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000372613655 418888227 /nfs/dbraw/zinc/88/82/27/418888227.db2.gz PCHHZGSMBILVJU-INIZCTEOSA-N 1 2 322.336 1.808 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529644186 421548239 /nfs/dbraw/zinc/54/82/39/421548239.db2.gz VEIWZAXAXJHVLT-JTQLQIEISA-N 1 2 313.785 1.175 20 10 DDCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529644186 421548241 /nfs/dbraw/zinc/54/82/41/421548241.db2.gz VEIWZAXAXJHVLT-JTQLQIEISA-N 1 2 313.785 1.175 20 10 DDCDLO C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCOCC1 ZINC000273463101 298789440 /nfs/dbraw/zinc/78/94/40/298789440.db2.gz DGEUQCTZFIUTKN-CHWSQXEVSA-N 1 2 323.393 1.919 20 10 DDCDLO Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(O)c1O ZINC000182387877 526194492 /nfs/dbraw/zinc/19/44/92/526194492.db2.gz QEQGTFNQDMJDQK-RYUDHWBXSA-N 1 2 308.378 1.245 20 10 DDCDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000052636396 696259146 /nfs/dbraw/zinc/25/91/46/696259146.db2.gz HLXJCWNBVGMPKU-AWEZNQCLSA-N 1 2 305.422 1.732 20 10 DDCDLO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000777220812 698174406 /nfs/dbraw/zinc/17/44/06/698174406.db2.gz UXEQEWDAPRMJOB-KBPBESRZSA-N 1 2 315.797 1.956 20 10 DDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779027859 698391621 /nfs/dbraw/zinc/39/16/21/698391621.db2.gz SMVDDBRLFADSDW-HXUWFJFHSA-N 1 2 300.399 1.027 20 10 DDCDLO CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000779143538 698399125 /nfs/dbraw/zinc/39/91/25/698399125.db2.gz KLDRFNBQXTZAAW-ZFWWWQNUSA-N 1 2 323.389 1.943 20 10 DDCDLO CCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000779143538 698399130 /nfs/dbraw/zinc/39/91/30/698399130.db2.gz KLDRFNBQXTZAAW-ZFWWWQNUSA-N 1 2 323.389 1.943 20 10 DDCDLO CS(=O)(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000705499236 699241479 /nfs/dbraw/zinc/24/14/79/699241479.db2.gz CTMKXWCCXXFMJX-UHFFFAOYSA-N 1 2 318.826 1.559 20 10 DDCDLO C[C@H](O)C[NH+]1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167151 699679711 /nfs/dbraw/zinc/67/97/11/699679711.db2.gz BSPJXFTVWAECBO-JTQLQIEISA-N 1 2 302.777 1.683 20 10 DDCDLO CN1CC[N@H+](Cc2ccc(Br)cc2O)CCC1=O ZINC000827358650 705984968 /nfs/dbraw/zinc/98/49/68/705984968.db2.gz DAYSBURGBYWHCG-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO CN1CC[N@@H+](Cc2ccc(Br)cc2O)CCC1=O ZINC000827358650 705984973 /nfs/dbraw/zinc/98/49/73/705984973.db2.gz DAYSBURGBYWHCG-UHFFFAOYSA-N 1 2 313.195 1.819 20 10 DDCDLO COC1CCN(c2ccc(C[N@@H+]3CCN(C)C(=O)C3)cc2)CC1 ZINC000827878131 706080898 /nfs/dbraw/zinc/08/08/98/706080898.db2.gz OAFHLIZZZOZGSK-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO COC1CCN(c2ccc(C[N@H+]3CCN(C)C(=O)C3)cc2)CC1 ZINC000827878131 706080899 /nfs/dbraw/zinc/08/08/99/706080899.db2.gz OAFHLIZZZOZGSK-UHFFFAOYSA-N 1 2 317.433 1.576 20 10 DDCDLO COc1ccc(N(C)CCN(C)c2nc(C)[nH+]c(N)n2)cc1 ZINC000865907987 706560479 /nfs/dbraw/zinc/56/04/79/706560479.db2.gz BMJISGMESJCRDM-UHFFFAOYSA-N 1 2 302.382 1.343 20 10 DDCDLO COc1ccc(N(C)CCN(C)c2nc(N)nc(C)[nH+]2)cc1 ZINC000865907987 706560481 /nfs/dbraw/zinc/56/04/81/706560481.db2.gz BMJISGMESJCRDM-UHFFFAOYSA-N 1 2 302.382 1.343 20 10 DDCDLO CC1(C)[C@@H](NC(=O)C2=CC(=O)CS2)C[C@@H]1[NH+]1CCOCC1 ZINC000880503455 706996713 /nfs/dbraw/zinc/99/67/13/706996713.db2.gz YACGXZHGFVBFFY-STQMWFEESA-N 1 2 310.419 1.683 20 10 DDCDLO CC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(F)cc1O ZINC000886704595 708818160 /nfs/dbraw/zinc/81/81/60/708818160.db2.gz JVULTAYQBLLYGP-LLVKDONJSA-N 1 2 317.324 1.503 20 10 DDCDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000900387011 709567161 /nfs/dbraw/zinc/56/71/61/709567161.db2.gz ODRUSBILZBHFAO-CYBMUJFWSA-N 1 2 314.389 1.666 20 10 DDCDLO COc1ccc(N2CC[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000911277744 710722803 /nfs/dbraw/zinc/72/28/03/710722803.db2.gz WRXVXBNBUSFEDI-ZDUSSCGKSA-N 1 2 314.389 1.604 20 10 DDCDLO CC1(C)[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CS1(=O)=O ZINC000895983182 711660181 /nfs/dbraw/zinc/66/01/81/711660181.db2.gz XAKKHSJKOLSGQN-JTQLQIEISA-N 1 2 307.774 1.850 20 10 DDCDLO O=C1C[C@H](CC[NH2+]Cc2cccc(Br)c2O)CN1 ZINC000922780417 714145500 /nfs/dbraw/zinc/14/55/00/714145500.db2.gz ATBUWBYWIUASRU-VIFPVBQESA-N 1 2 313.195 1.771 20 10 DDCDLO