smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN(C(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000275182583 130297267 /nfs/dbraw/zinc/29/72/67/130297267.db2.gz WZQUALUBTWWRFR-UHFFFAOYSA-N -1 1 311.385 2.658 20 10 DFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000295089847 543030105 /nfs/dbraw/zinc/03/01/05/543030105.db2.gz JGVKOSDBLJGKTF-GFCCVEGCSA-N -1 1 323.345 2.512 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000230359480 426648517 /nfs/dbraw/zinc/64/85/17/426648517.db2.gz XHKBUMDXBLXTSE-INIZCTEOSA-N -1 1 311.809 2.985 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)[O-])CC2)c1[O-] ZINC000269282609 427159403 /nfs/dbraw/zinc/15/94/03/427159403.db2.gz GKHDFUFKZYIEMS-UHFFFAOYSA-N -1 1 311.765 2.545 20 10 DFCDMM CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000192049447 427471498 /nfs/dbraw/zinc/47/14/98/427471498.db2.gz MAHUZFKLKODOEL-GFCCVEGCSA-N -1 1 301.394 2.687 20 10 DFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]3COC[C@H]32)c1[O-] ZINC000369215956 429919749 /nfs/dbraw/zinc/91/97/49/429919749.db2.gz SJDVBCHQNKRBJQ-TVQRCGJNSA-N -1 1 312.753 2.565 20 10 DFCDMM Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187793454 302675809 /nfs/dbraw/zinc/67/58/09/302675809.db2.gz YMSUKBNMISHMGR-PELKAZGASA-N -1 1 308.332 2.756 20 10 DFCDMM CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c1[O-] ZINC000530179963 317773776 /nfs/dbraw/zinc/77/37/76/317773776.db2.gz OZNQCBHKRCLUGT-UWVGGRQHSA-N -1 1 323.364 2.808 20 10 DFCDMM CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739358317 602704344 /nfs/dbraw/zinc/70/43/44/602704344.db2.gz BQWNUODWJQXOLS-CQSZACIVSA-N -1 1 306.406 2.994 20 10 DFCDMM CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739358317 602704345 /nfs/dbraw/zinc/70/43/45/602704345.db2.gz BQWNUODWJQXOLS-CQSZACIVSA-N -1 1 306.406 2.994 20 10 DFCDMM O=C([O-])NC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000834225399 605575596 /nfs/dbraw/zinc/57/55/96/605575596.db2.gz ODPPQOJWYGIVAB-MRVPVSSYSA-N -1 1 319.188 2.789 20 10 DFCDMM CC(C)(C)c1cnc(Sc2nccnc2-c2nn[n-]n2)s1 ZINC000819966050 607118507 /nfs/dbraw/zinc/11/85/07/607118507.db2.gz UJALOYBYVUXMPM-UHFFFAOYSA-N -1 1 319.419 2.562 20 10 DFCDMM Clc1nsc(Sc2nccs2)c1-c1nnn[n-]1 ZINC000826354381 608179497 /nfs/dbraw/zinc/17/94/97/608179497.db2.gz AJUSJOJFMKPCOA-UHFFFAOYSA-N -1 1 302.797 2.584 20 10 DFCDMM Clc1nsc(Sc2nccs2)c1-c1nn[n-]n1 ZINC000826354381 608179499 /nfs/dbraw/zinc/17/94/99/608179499.db2.gz AJUSJOJFMKPCOA-UHFFFAOYSA-N -1 1 302.797 2.584 20 10 DFCDMM Oc1cccc(Cl)c1CN1CCC(O)(C(F)(F)F)CC1 ZINC000272856182 130069773 /nfs/dbraw/zinc/06/97/73/130069773.db2.gz UAAYUWQJKYAORM-UHFFFAOYSA-N -1 1 309.715 2.935 20 10 DFCDMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000297234549 132005224 /nfs/dbraw/zinc/00/52/24/132005224.db2.gz UHGVMDHXMAVQKV-BXKDBHETSA-N -1 1 311.353 2.560 20 10 DFCDMM C[C@H](NCc1ncccc1N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289645715 426670857 /nfs/dbraw/zinc/67/08/57/426670857.db2.gz GACCQEJVHRJMEZ-NSHDSACASA-N -1 1 316.361 2.612 20 10 DFCDMM Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366264536 429444370 /nfs/dbraw/zinc/44/43/70/429444370.db2.gz DVMSUDCHURZBQR-TZMCWYRMSA-N -1 1 312.207 2.908 20 10 DFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](n2cncn2)C1 ZINC000364508928 333324687 /nfs/dbraw/zinc/32/46/87/333324687.db2.gz LNUGXEBDEHJACY-NSHDSACASA-N -1 1 313.188 2.738 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CNC(C)(C)c2noc(C)n2)c1[O-] ZINC000267406461 518277274 /nfs/dbraw/zinc/27/72/74/518277274.db2.gz SARGTKRZBDPIGC-UHFFFAOYSA-N -1 1 323.780 2.965 20 10 DFCDMM CCC(CC)(C[NH2+]Cc1c([O-])cccc1Cl)NC(=O)[O-] ZINC000826561270 603602988 /nfs/dbraw/zinc/60/29/88/603602988.db2.gz RQWDDJOXIAZNET-UHFFFAOYSA-N -1 1 300.786 2.962 20 10 DFCDMM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Br)ccc1[O-] ZINC000828664952 601432476 /nfs/dbraw/zinc/43/24/76/601432476.db2.gz MFJNRLBMXPIFBD-CYBMUJFWSA-N -1 1 316.195 2.888 20 10 DFCDMM O=C([O-])C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000819379784 597044917 /nfs/dbraw/zinc/04/49/17/597044917.db2.gz ATEDFRYTPCUBCL-GFCCVEGCSA-N -1 1 300.358 2.627 20 10 DFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000819379784 597044919 /nfs/dbraw/zinc/04/49/19/597044919.db2.gz ATEDFRYTPCUBCL-GFCCVEGCSA-N -1 1 300.358 2.627 20 10 DFCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000739533330 600279022 /nfs/dbraw/zinc/27/90/22/600279022.db2.gz XKBJQHOKUUUPJK-OAHLLOKOSA-N -1 1 312.369 2.627 20 10 DFCDMM O=C([O-])C[N@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739786036 600714669 /nfs/dbraw/zinc/71/46/69/600714669.db2.gz SSRZSKUYPLYRTR-UHFFFAOYSA-N -1 1 311.687 2.885 20 10 DFCDMM O=C([O-])C[N@@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739786036 600714671 /nfs/dbraw/zinc/71/46/71/600714671.db2.gz SSRZSKUYPLYRTR-UHFFFAOYSA-N -1 1 311.687 2.885 20 10 DFCDMM Cc1cc(CN2CCO[C@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883005 601374994 /nfs/dbraw/zinc/37/49/94/601374994.db2.gz OYILLAOHNHNMIJ-CQSZACIVSA-N -1 1 321.417 2.674 20 10 DFCDMM COC(=O)[C@H]1c2ccccc2CCN1Cc1cccc(F)c1[O-] ZINC000272280859 130015070 /nfs/dbraw/zinc/01/50/70/130015070.db2.gz MQDSXJDETUCBQT-MRXNPFEDSA-N -1 1 315.344 2.804 20 10 DFCDMM CN(Cc1nccn1CC(F)(F)F)Cc1cccc(F)c1[O-] ZINC000272313973 130019400 /nfs/dbraw/zinc/01/94/00/130019400.db2.gz SCXJPSWSGGBNTJ-UHFFFAOYSA-N -1 1 317.286 2.922 20 10 DFCDMM COCCC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000297370346 227075993 /nfs/dbraw/zinc/07/59/93/227075993.db2.gz INAJAOWREPATHS-UHFFFAOYSA-N -1 1 314.769 2.812 20 10 DFCDMM CN(C)c1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000008698937 425673213 /nfs/dbraw/zinc/67/32/13/425673213.db2.gz XHUHSVIUFPQNJY-SFHVURJKSA-N -1 1 310.397 2.764 20 10 DFCDMM COc1c([O-])c(CN[C@H](C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000290078486 426687164 /nfs/dbraw/zinc/68/71/64/426687164.db2.gz GHIFRTKTLFWUFE-GFCCVEGCSA-N -1 1 320.267 2.740 20 10 DFCDMM CC[C@@H]1C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000281590667 426724757 /nfs/dbraw/zinc/72/47/57/426724757.db2.gz QJQVPYNUQNCLFJ-LDYMZIIASA-N -1 1 313.195 2.752 20 10 DFCDMM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccccn2)CC1 ZINC000179628315 426806914 /nfs/dbraw/zinc/80/69/14/426806914.db2.gz IBYYLAISQYFXSZ-UHFFFAOYSA-N -1 1 317.820 2.758 20 10 DFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000291259013 426880861 /nfs/dbraw/zinc/88/08/61/426880861.db2.gz MTKJAFMYQQODCC-GFCCVEGCSA-N -1 1 322.752 2.597 20 10 DFCDMM CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cn1 ZINC000296040952 427054291 /nfs/dbraw/zinc/05/42/91/427054291.db2.gz UJHNDVIECNWVFE-NEPJUHHUSA-N -1 1 317.389 2.807 20 10 DFCDMM CC(C)OCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277510696 427223620 /nfs/dbraw/zinc/22/36/20/427223620.db2.gz KVNCVJUBASRYJL-UHFFFAOYSA-N -1 1 316.195 2.586 20 10 DFCDMM O=C(NCCOC1CCCCCC1)c1c(F)ccc(O)c1[O-] ZINC000276629062 334084233 /nfs/dbraw/zinc/08/42/33/334084233.db2.gz SFGDMOIISQGXQJ-UHFFFAOYSA-N -1 1 311.353 2.706 20 10 DFCDMM O=C([O-])C[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000739794424 600315418 /nfs/dbraw/zinc/31/54/18/600315418.db2.gz ZSUOSHUSXOFMRW-UHFFFAOYSA-N -1 1 320.776 2.570 20 10 DFCDMM O=C([O-])C[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000739794424 600315421 /nfs/dbraw/zinc/31/54/21/600315421.db2.gz ZSUOSHUSXOFMRW-UHFFFAOYSA-N -1 1 320.776 2.570 20 10 DFCDMM O=C([O-])C[N@H+](CCc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000739793156 600315620 /nfs/dbraw/zinc/31/56/20/600315620.db2.gz BELUCMBAZKBCHP-UHFFFAOYSA-N -1 1 320.776 2.570 20 10 DFCDMM O=C([O-])C[N@@H+](CCc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000739793156 600315622 /nfs/dbraw/zinc/31/56/22/600315622.db2.gz BELUCMBAZKBCHP-UHFFFAOYSA-N -1 1 320.776 2.570 20 10 DFCDMM CCOc1ccc(N(CC)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825639479 607519607 /nfs/dbraw/zinc/51/96/07/607519607.db2.gz XGLCXFJVAMIXNP-UHFFFAOYSA-N -1 1 324.388 2.687 20 10 DFCDMM CCOc1ccc(N(CC)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825639479 607519609 /nfs/dbraw/zinc/51/96/09/607519609.db2.gz XGLCXFJVAMIXNP-UHFFFAOYSA-N -1 1 324.388 2.687 20 10 DFCDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086779900 604675892 /nfs/dbraw/zinc/67/58/92/604675892.db2.gz OJTYIOINGWUUDU-CYBMUJFWSA-N -1 1 304.173 2.996 20 10 DFCDMM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834110545 605563077 /nfs/dbraw/zinc/56/30/77/605563077.db2.gz XGWXXFVYGUMKBH-SWLSCSKDSA-N -1 1 322.380 2.886 20 10 DFCDMM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1 ZINC000019107899 182104795 /nfs/dbraw/zinc/10/47/95/182104795.db2.gz LBVDWIFGTLZUOA-UHFFFAOYSA-N -1 1 323.374 2.940 20 10 DFCDMM COCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277472034 130614701 /nfs/dbraw/zinc/61/47/01/130614701.db2.gz HYIOUWCVJYCTCZ-UHFFFAOYSA-N -1 1 316.195 2.588 20 10 DFCDMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000297234551 132005501 /nfs/dbraw/zinc/00/55/01/132005501.db2.gz UHGVMDHXMAVQKV-CABZTGNLSA-N -1 1 311.353 2.560 20 10 DFCDMM COCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(F)F ZINC000177119353 426445387 /nfs/dbraw/zinc/44/53/87/426445387.db2.gz JQPBBDHWSIJJCS-UHFFFAOYSA-N -1 1 321.751 2.962 20 10 DFCDMM CC[C@](C)(OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000281116710 426701865 /nfs/dbraw/zinc/70/18/65/426701865.db2.gz XXWZFMGJSWNBOC-ZDUSSCGKSA-N -1 1 316.195 2.586 20 10 DFCDMM CC[N@@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282848339 426928411 /nfs/dbraw/zinc/92/84/11/426928411.db2.gz WCFKTDIMFXBWTI-UHFFFAOYSA-N -1 1 308.205 2.530 20 10 DFCDMM CC(C)c1csc(CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000294972017 427670051 /nfs/dbraw/zinc/67/00/51/427670051.db2.gz NZBLYJUDEDKBSI-UHFFFAOYSA-N -1 1 310.350 2.747 20 10 DFCDMM CC(C)c1nnc2n1CCN(Cc1cccc(F)c1[O-])[C@H]2C ZINC000368937090 278108785 /nfs/dbraw/zinc/10/87/85/278108785.db2.gz FOFWWNFFSDYUGU-NSHDSACASA-N -1 1 304.369 2.823 20 10 DFCDMM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000273466477 334047510 /nfs/dbraw/zinc/04/75/10/334047510.db2.gz IYVMKYMXEBBSTL-VHSXEESVSA-N -1 1 319.365 2.954 20 10 DFCDMM O=C([O-])C[N@H+](CCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000739794225 600506440 /nfs/dbraw/zinc/50/64/40/600506440.db2.gz XBNWNQCKRCQYDY-UHFFFAOYSA-N -1 1 320.776 2.570 20 10 DFCDMM O=C([O-])C[N@@H+](CCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000739794225 600506444 /nfs/dbraw/zinc/50/64/44/600506444.db2.gz XBNWNQCKRCQYDY-UHFFFAOYSA-N -1 1 320.776 2.570 20 10 DFCDMM O=C([O-])N1CCC([N@@H+](Cc2cccc(F)c2[O-])C2CC2)CC1 ZINC000834085420 605563098 /nfs/dbraw/zinc/56/30/98/605563098.db2.gz SECHDPAVSBSTPH-UHFFFAOYSA-N -1 1 308.353 2.638 20 10 DFCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000058018015 184067713 /nfs/dbraw/zinc/06/77/13/184067713.db2.gz QHYXQAOMPKWPPL-UHFFFAOYSA-N -1 1 305.355 2.704 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@](F)(CO)C2)c1[O-] ZINC000286930636 131256831 /nfs/dbraw/zinc/25/68/31/131256831.db2.gz NHXWIXLTIRJUGZ-OAHLLOKOSA-N -1 1 315.772 2.545 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000153051338 426368372 /nfs/dbraw/zinc/36/83/72/426368372.db2.gz ZIUBTEKAPQXKBD-WBMJQRKESA-N -1 1 307.365 2.735 20 10 DFCDMM O=C(NCc1cccc(Br)c1[O-])C1(CCF)CC1 ZINC000290472631 426772778 /nfs/dbraw/zinc/77/27/78/426772778.db2.gz QGNKVOZUZANHNR-UHFFFAOYSA-N -1 1 316.170 2.911 20 10 DFCDMM CC(C)c1nnc([C@H]2COCCN2Cc2cccc(F)c2[O-])o1 ZINC000282937434 426934485 /nfs/dbraw/zinc/93/44/85/426934485.db2.gz GGZQJZKBROOPLN-CYBMUJFWSA-N -1 1 321.352 2.611 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(C(F)(F)F)CC1 ZINC000276657177 427115285 /nfs/dbraw/zinc/11/52/85/427115285.db2.gz ZXOOIHHTFZFKCA-UHFFFAOYSA-N -1 1 307.243 2.651 20 10 DFCDMM CCC[C@@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000296607930 427228573 /nfs/dbraw/zinc/22/85/73/427228573.db2.gz GMAMSPJZFZFAOA-LLVKDONJSA-N -1 1 316.195 2.586 20 10 DFCDMM [O-]c1c(Cl)cccc1CN1CCN(c2ccccn2)CC1 ZINC000183471481 427275290 /nfs/dbraw/zinc/27/52/90/427275290.db2.gz ROUBAZLEYFTNSB-UHFFFAOYSA-N -1 1 303.793 2.763 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000269810963 427281820 /nfs/dbraw/zinc/28/18/20/427281820.db2.gz OTGBFGYRNURKFP-HZMBPMFUSA-N -1 1 311.809 2.984 20 10 DFCDMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000294862377 427664062 /nfs/dbraw/zinc/66/40/62/427664062.db2.gz DDKGVIKESRXZCA-WDEREUQCSA-N -1 1 311.353 2.560 20 10 DFCDMM NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000362614151 428794936 /nfs/dbraw/zinc/79/49/36/428794936.db2.gz DSSMRVAAXQFCDP-HONMWMINSA-N -1 1 308.809 2.664 20 10 DFCDMM Cc1cnc([C@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])s1 ZINC000295053306 334216332 /nfs/dbraw/zinc/21/63/32/334216332.db2.gz XXEVXWBHVVVMDV-SSDOTTSWSA-N -1 1 310.350 2.535 20 10 DFCDMM CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739358315 602704412 /nfs/dbraw/zinc/70/44/12/602704412.db2.gz BQWNUODWJQXOLS-AWEZNQCLSA-N -1 1 306.406 2.994 20 10 DFCDMM CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739358315 602704413 /nfs/dbraw/zinc/70/44/13/602704413.db2.gz BQWNUODWJQXOLS-AWEZNQCLSA-N -1 1 306.406 2.994 20 10 DFCDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1 ZINC000285057584 131134481 /nfs/dbraw/zinc/13/44/81/131134481.db2.gz JDYUMSCDSDZLPL-UHFFFAOYSA-N -1 1 322.386 2.522 20 10 DFCDMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nncn1C ZINC000037017366 425847069 /nfs/dbraw/zinc/84/70/69/425847069.db2.gz RZMVHVRHTYQHPD-SSDOTTSWSA-N -1 1 301.177 2.678 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000153051217 426368257 /nfs/dbraw/zinc/36/82/57/426368257.db2.gz ZIUBTEKAPQXKBD-MLGOLLRUSA-N -1 1 307.365 2.735 20 10 DFCDMM CC[N@@H+](CCC(=O)OC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177083302 426441260 /nfs/dbraw/zinc/44/12/60/426441260.db2.gz VEHSLCLZTSWPPO-UHFFFAOYSA-N -1 1 313.781 2.633 20 10 DFCDMM CO[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1OC ZINC000234862187 426658778 /nfs/dbraw/zinc/65/87/78/426658778.db2.gz KPVVEZLKZGUBKF-TXEJJXNPSA-N -1 1 306.189 2.545 20 10 DFCDMM 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[O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000364508927 333324673 /nfs/dbraw/zinc/32/46/73/333324673.db2.gz LNUGXEBDEHJACY-LLVKDONJSA-N -1 1 313.188 2.738 20 10 DFCDMM O=C1[N-]C(=S)SC1=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000178365860 337164206 /nfs/dbraw/zinc/16/42/06/337164206.db2.gz QKYPSTWJRPHDNN-WTKPLQERSA-N -1 1 323.349 2.844 20 10 DFCDMM CC[C@@H](C(=O)[O-])[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000191423702 521882507 /nfs/dbraw/zinc/88/25/07/521882507.db2.gz ZLINEEXVSDEEPQ-NSHDSACASA-N -1 1 316.195 2.840 20 10 DFCDMM CC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000191423702 521882514 /nfs/dbraw/zinc/88/25/14/521882514.db2.gz ZLINEEXVSDEEPQ-NSHDSACASA-N -1 1 316.195 2.840 20 10 DFCDMM O=C([O-])CCCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000819406494 597138193 /nfs/dbraw/zinc/13/81/93/597138193.db2.gz MJKQLYWMROPAKI-UHFFFAOYSA-N -1 1 316.195 2.889 20 10 DFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000821515083 598183107 /nfs/dbraw/zinc/18/31/07/598183107.db2.gz 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CC[C@@H](SC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277447336 427207131 /nfs/dbraw/zinc/20/71/31/427207131.db2.gz FXNZLZXOWATCAO-SNVBAGLBSA-N -1 1 318.236 2.913 20 10 DFCDMM CCCSCC(=O)NCc1cccc(Br)c1[O-] ZINC000277510902 427224497 /nfs/dbraw/zinc/22/44/97/427224497.db2.gz KWMKJOVGQQDHMO-UHFFFAOYSA-N -1 1 318.236 2.914 20 10 DFCDMM CC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000278313969 427428217 /nfs/dbraw/zinc/42/82/17/427428217.db2.gz IHUCYWZVBSWPQT-MRVPVSSYSA-N -1 1 301.184 2.752 20 10 DFCDMM CCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000278397248 427430932 /nfs/dbraw/zinc/43/09/32/427430932.db2.gz OGIFYCAJOJXTHX-UHFFFAOYSA-N -1 1 301.184 2.754 20 10 DFCDMM C[C@H](NCC(F)(F)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000193296474 427683288 /nfs/dbraw/zinc/68/32/88/427683288.db2.gz JVBQJSWBTONANC-LURJTMIESA-N -1 1 300.132 2.977 20 10 DFCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000366467223 429458723 /nfs/dbraw/zinc/45/87/23/429458723.db2.gz RDBDIUHBLLDEOX-MLGOLLRUSA-N -1 1 311.809 2.816 20 10 DFCDMM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000179396209 300269376 /nfs/dbraw/zinc/26/93/76/300269376.db2.gz JEKDEPUQGLDDNW-VIFPVBQESA-N -1 1 300.742 2.565 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC=C(C(F)(F)F)CC1 ZINC000296635070 335145144 /nfs/dbraw/zinc/14/51/44/335145144.db2.gz VXLCCNKTQUSWTR-UHFFFAOYSA-N -1 1 305.227 2.572 20 10 DFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@H](c2cccs2)C1 ZINC000276547883 334081514 /nfs/dbraw/zinc/08/15/14/334081514.db2.gz HACBRTZFUGYMBS-NSHDSACASA-N -1 1 323.345 2.512 20 10 DFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000821515084 598183084 /nfs/dbraw/zinc/18/30/84/598183084.db2.gz DGRHHVFDCAQRDV-VIFPVBQESA-N -1 1 301.745 2.871 20 10 DFCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000739533329 600279117 /nfs/dbraw/zinc/27/91/17/600279117.db2.gz XKBJQHOKUUUPJK-HNNXBMFYSA-N -1 1 312.369 2.627 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)c1[O-] ZINC000825946653 601870360 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CC1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277367208 427181066 /nfs/dbraw/zinc/18/10/66/427181066.db2.gz HHNCXEPPCRCXDM-SNVBAGLBSA-N -1 1 313.195 2.752 20 10 DFCDMM CCCCOCC(=O)NCc1cccc(Br)c1[O-] ZINC000277574522 427248238 /nfs/dbraw/zinc/24/82/38/427248238.db2.gz QYZAIDRVGWRMRR-UHFFFAOYSA-N -1 1 316.195 2.588 20 10 DFCDMM CCOCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277644825 427272719 /nfs/dbraw/zinc/27/27/19/427272719.db2.gz YHAHNLRBGVUITH-UHFFFAOYSA-N -1 1 316.195 2.588 20 10 DFCDMM COc1c([O-])c(C[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000278240856 427428029 /nfs/dbraw/zinc/42/80/29/427428029.db2.gz NXAGWMMSGKMAGV-UHFFFAOYSA-N -1 1 320.370 2.929 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000271884577 427593121 /nfs/dbraw/zinc/59/31/21/427593121.db2.gz AIIYJGXCEUJOPC-QGZVFWFLSA-N -1 1 309.381 2.861 20 10 DFCDMM COCC[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(C)o1 ZINC000294837014 427662031 /nfs/dbraw/zinc/66/20/31/427662031.db2.gz BAJVQFZYZAJEPH-LLVKDONJSA-N -1 1 323.320 2.646 20 10 DFCDMM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC000368118132 429792659 /nfs/dbraw/zinc/79/26/59/429792659.db2.gz HAXADETWYLLHHJ-MRXNPFEDSA-N -1 1 314.360 2.513 20 10 DFCDMM COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295440672 335134868 /nfs/dbraw/zinc/13/48/68/335134868.db2.gz UNPJUSAOAKHDBY-AWEZNQCLSA-N -1 1 301.745 2.570 20 10 DFCDMM CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272273964 334032668 /nfs/dbraw/zinc/03/26/68/334032668.db2.gz LTSMFZKHPVXAGV-ZDUSSCGKSA-N -1 1 324.396 2.973 20 10 DFCDMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ncnn1C ZINC000276414306 334077404 /nfs/dbraw/zinc/07/74/04/334077404.db2.gz BREDAMZYNHEQHR-SSDOTTSWSA-N -1 1 301.177 2.678 20 10 DFCDMM CCCO[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276536824 334081153 /nfs/dbraw/zinc/08/11/53/334081153.db2.gz FRTLIAFUADQDAP-NSHDSACASA-N -1 1 311.353 2.658 20 10 DFCDMM Cc1c2ccccc2n(C)c1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436628666 338280614 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C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000833830811 605995728 /nfs/dbraw/zinc/99/57/28/605995728.db2.gz JNQMGPFNBVSFTG-BDAKNGLRSA-N -1 1 316.760 2.663 20 10 DFCDMM CO[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091772428 193104554 /nfs/dbraw/zinc/10/45/54/193104554.db2.gz JYPOHJUFCAIRIV-LLVKDONJSA-N -1 1 300.742 2.565 20 10 DFCDMM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272250744 130013766 /nfs/dbraw/zinc/01/37/66/130013766.db2.gz IKQIKGFTOONVGX-UHFFFAOYSA-N -1 1 323.389 2.567 20 10 DFCDMM COC(=O)C[N@H+](CCCCF)Cc1cc(Cl)ccc1O ZINC000285116101 131139523 /nfs/dbraw/zinc/13/95/23/131139523.db2.gz AEICFQZBIQKTHQ-UHFFFAOYSA-N -1 1 303.761 2.770 20 10 DFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000295089852 543030266 /nfs/dbraw/zinc/03/02/66/543030266.db2.gz JGVKOSDBLJGKTF-LBPRGKRZSA-N -1 1 323.345 2.512 20 10 DFCDMM CCNC(=O)CN(CC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133611910 426182695 /nfs/dbraw/zinc/18/26/95/426182695.db2.gz 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/nfs/dbraw/zinc/08/21/41/334082141.db2.gz JNKOVRUQFVPZQK-MRVPVSSYSA-N -1 1 310.350 2.569 20 10 DFCDMM C[C@@H](CN(C)C(=O)c1c(F)ccc(O)c1[O-])c1nccs1 ZINC000276565180 334082179 /nfs/dbraw/zinc/08/21/79/334082179.db2.gz JNKOVRUQFVPZQK-QMMMGPOBSA-N -1 1 310.350 2.569 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ncon2)c1[O-] ZINC000370207357 336879709 /nfs/dbraw/zinc/87/97/09/336879709.db2.gz UGGXSZQSOUMTEM-ZDUSSCGKSA-N -1 1 321.764 2.968 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(C(=O)[O-])C2CC2)c1[O-] ZINC000825946975 601421591 /nfs/dbraw/zinc/42/15/91/601421591.db2.gz ZMVCOSSBKNRKDS-OAHLLOKOSA-N -1 1 311.765 2.591 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(=O)[O-])CCCC2)c1[O-] ZINC000769751949 604476379 /nfs/dbraw/zinc/47/63/79/604476379.db2.gz KGKPLDMRNRGGKC-UHFFFAOYSA-N -1 1 311.765 2.735 20 10 DFCDMM COc1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC000833735231 604526824 /nfs/dbraw/zinc/52/68/24/604526824.db2.gz HCNGNIYJWGLVCA-UHFFFAOYSA-N -1 1 305.330 2.632 20 10 DFCDMM 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[O-]c1c(F)cccc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000376541866 337036326 /nfs/dbraw/zinc/03/63/26/337036326.db2.gz WNKCPMGOIYZXPN-UHFFFAOYSA-N -1 1 324.359 2.806 20 10 DFCDMM CC[N@H+](CC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000737075368 600027425 /nfs/dbraw/zinc/02/74/25/600027425.db2.gz QIXKAUOPHMAKMK-UHFFFAOYSA-N -1 1 303.358 2.924 20 10 DFCDMM CC[N@@H+](CC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000737075368 600027427 /nfs/dbraw/zinc/02/74/27/600027427.db2.gz QIXKAUOPHMAKMK-UHFFFAOYSA-N -1 1 303.358 2.924 20 10 DFCDMM CC(C)(C)OCCN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736285353 600143577 /nfs/dbraw/zinc/14/35/77/600143577.db2.gz DWTUWKTXXQWPBP-UHFFFAOYSA-N -1 1 315.797 2.747 20 10 DFCDMM CCC[C@](C)([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)[O-] ZINC000829202389 601417826 /nfs/dbraw/zinc/41/78/26/601417826.db2.gz NMGADMBOPUNCEP-HNNXBMFYSA-N -1 1 313.781 2.981 20 10 DFCDMM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000828800467 602210822 /nfs/dbraw/zinc/21/08/22/602210822.db2.gz 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427115380 /nfs/dbraw/zinc/11/53/80/427115380.db2.gz YBSNRJVYNOJTQJ-NSHDSACASA-N -1 1 323.364 2.849 20 10 DFCDMM CS[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277550752 427241324 /nfs/dbraw/zinc/24/13/24/427241324.db2.gz OFLKDNAUROAFER-MRVPVSSYSA-N -1 1 318.236 2.913 20 10 DFCDMM CO[C@H](C)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277619223 427264177 /nfs/dbraw/zinc/26/41/77/427264177.db2.gz VZUAHEGMORPJLX-SECBINFHSA-N -1 1 316.195 2.586 20 10 DFCDMM Cc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC000192730442 427597477 /nfs/dbraw/zinc/59/74/77/427597477.db2.gz ZKFOAPZWFIMWSG-UHFFFAOYSA-N -1 1 323.374 2.940 20 10 DFCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCCOC2)O1 ZINC000366467224 429457533 /nfs/dbraw/zinc/45/75/33/429457533.db2.gz RDBDIUHBLLDEOX-WBMJQRKESA-N -1 1 311.809 2.816 20 10 DFCDMM Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187793433 302678354 /nfs/dbraw/zinc/67/83/54/302678354.db2.gz YMSUKBNMISHMGR-QPUJVOFHSA-N -1 1 308.332 2.756 20 10 DFCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)ccc1[O-] ZINC000091986528 332116726 /nfs/dbraw/zinc/11/67/26/332116726.db2.gz WWAGXEGMJCDWRV-UHFFFAOYSA-N -1 1 316.332 2.637 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](Cc2ccccc2)C1 ZINC000276563044 334082144 /nfs/dbraw/zinc/08/21/44/334082144.db2.gz JFGXXOXSMJUXLS-CYBMUJFWSA-N -1 1 315.344 2.942 20 10 DFCDMM Cn1ccnc1-c1noc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000191515092 337298680 /nfs/dbraw/zinc/29/86/80/337298680.db2.gz AVFAHHMDYSDHJW-UHFFFAOYSA-N -1 1 323.715 2.580 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)c1[O-] ZINC000825946652 602226368 /nfs/dbraw/zinc/22/63/68/602226368.db2.gz JLXBAVCQJYWDQN-CYBMUJFWSA-N -1 1 313.781 2.837 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC000833401633 604969087 /nfs/dbraw/zinc/96/90/87/604969087.db2.gz ZFDQAZTUZWAEET-LBPRGKRZSA-N -1 1 311.765 2.687 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC000833401633 604969090 /nfs/dbraw/zinc/96/90/90/604969090.db2.gz ZFDQAZTUZWAEET-LBPRGKRZSA-N -1 1 311.765 2.687 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000833401632 604969329 /nfs/dbraw/zinc/96/93/29/604969329.db2.gz ZFDQAZTUZWAEET-GFCCVEGCSA-N -1 1 311.765 2.687 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000833401632 604969332 /nfs/dbraw/zinc/96/93/32/604969332.db2.gz ZFDQAZTUZWAEET-GFCCVEGCSA-N -1 1 311.765 2.687 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000833813816 605992713 /nfs/dbraw/zinc/99/27/13/605992713.db2.gz QQMHKMPWEPWTCD-WDEREUQCSA-N -1 1 312.797 2.914 20 10 DFCDMM [O-]c1c(F)cc(Cl)cc1CNc1cccc(-c2nn[nH]n2)c1 ZINC000826510748 609475403 /nfs/dbraw/zinc/47/54/03/609475403.db2.gz ISIIMOSHMIUSGS-UHFFFAOYSA-N -1 1 319.727 2.977 20 10 DFCDMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nncn1C ZINC000037017365 425847115 /nfs/dbraw/zinc/84/71/15/425847115.db2.gz RZMVHVRHTYQHPD-ZETCQYMHSA-N -1 1 301.177 2.678 20 10 DFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291259017 426881409 /nfs/dbraw/zinc/88/14/09/426881409.db2.gz MTKJAFMYQQODCC-LBPRGKRZSA-N -1 1 322.752 2.597 20 10 DFCDMM NC(=O)CCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295310738 426901519 /nfs/dbraw/zinc/90/15/19/426901519.db2.gz KPDICWIBBKXHMH-UHFFFAOYSA-N -1 1 314.788 2.662 20 10 DFCDMM O=C(CC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000277436613 427203769 /nfs/dbraw/zinc/20/37/69/427203769.db2.gz FAZRZLOPLKLLIP-UHFFFAOYSA-N -1 1 312.085 2.723 20 10 DFCDMM CC[C@H](SC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277447332 427207156 /nfs/dbraw/zinc/20/71/56/427207156.db2.gz FXNZLZXOWATCAO-JTQLQIEISA-N -1 1 318.236 2.913 20 10 DFCDMM CCC[C@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000296607939 427226723 /nfs/dbraw/zinc/22/67/23/427226723.db2.gz GMAMSPJZFZFAOA-NSHDSACASA-N -1 1 316.195 2.586 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2noc(C)n2)c1[O-] ZINC000183710346 427325580 /nfs/dbraw/zinc/32/55/80/427325580.db2.gz ZPZCOKUROVEAIJ-UHFFFAOYSA-N -1 1 309.753 2.572 20 10 DFCDMM CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(F)F ZINC000278299524 427427671 /nfs/dbraw/zinc/42/76/71/427427671.db2.gz VOVIJCFLHJNHHT-UHFFFAOYSA-N -1 1 304.293 2.786 20 10 DFCDMM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1c(F)ccc(O)c1[O-] ZINC000294926360 427666429 /nfs/dbraw/zinc/66/64/29/427666429.db2.gz LDEQBHACHGDPKU-ZOWXZIJZSA-N -1 1 313.328 2.553 20 10 DFCDMM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(F)c1[O-] ZINC000272211430 427673130 /nfs/dbraw/zinc/67/31/30/427673130.db2.gz AMFKKQZGAJVWMZ-INIZCTEOSA-N -1 1 315.344 2.631 20 10 DFCDMM CC(C)c1nnc([C@@H]2CN(Cc3cccc(F)c3[O-])CCO2)o1 ZINC000279720508 427717628 /nfs/dbraw/zinc/71/76/28/427717628.db2.gz UPOQHNPNCTYBQY-ZDUSSCGKSA-N -1 1 321.352 2.611 20 10 DFCDMM CC(=O)c1cc(F)cc(CN2CCC(n3cccn3)CC2)c1O ZINC000363321081 428906922 /nfs/dbraw/zinc/90/69/22/428906922.db2.gz MIZPNUUBVLYVTH-UHFFFAOYSA-N -1 1 317.364 2.768 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000364399888 429197483 /nfs/dbraw/zinc/19/74/83/429197483.db2.gz MQTNXPFXXFHOBK-OAHLLOKOSA-N -1 1 309.793 2.859 20 10 DFCDMM Cn1cc(-c2cccc(C=C3SC(=S)[N-]C3=O)c2)cn1 ZINC000367176794 429592721 /nfs/dbraw/zinc/59/27/21/429592721.db2.gz QKYGUCQGNOGJPX-SDQBBNPISA-N -1 1 301.396 2.576 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000530207186 301028832 /nfs/dbraw/zinc/02/88/32/301028832.db2.gz POVFNLSFXSMOFZ-OAHLLOKOSA-N -1 1 311.765 2.687 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000530207186 301028834 /nfs/dbraw/zinc/02/88/34/301028834.db2.gz POVFNLSFXSMOFZ-OAHLLOKOSA-N -1 1 311.765 2.687 20 10 DFCDMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ncnn1C ZINC000276414310 334077327 /nfs/dbraw/zinc/07/73/27/334077327.db2.gz BREDAMZYNHEQHR-ZETCQYMHSA-N -1 1 301.177 2.678 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000279096695 334105424 /nfs/dbraw/zinc/10/54/24/334105424.db2.gz AACDBOCPYXKHAM-SSDOTTSWSA-N -1 1 307.243 2.651 20 10 DFCDMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cccs2)n1 ZINC000180254022 337175481 /nfs/dbraw/zinc/17/54/81/337175481.db2.gz MKIFILOMGPSHPP-UITAMQMPSA-N -1 1 307.425 2.637 20 10 DFCDMM O=C([O-])C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000819379786 597045051 /nfs/dbraw/zinc/04/50/51/597045051.db2.gz ATEDFRYTPCUBCL-LBPRGKRZSA-N -1 1 300.358 2.627 20 10 DFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000819379786 597045054 /nfs/dbraw/zinc/04/50/54/597045054.db2.gz ATEDFRYTPCUBCL-LBPRGKRZSA-N -1 1 300.358 2.627 20 10 DFCDMM O=C([O-])N1CCc2cccc(CNCc3ccc4c(c3)CCO4)c21 ZINC000832087756 603858232 /nfs/dbraw/zinc/85/82/32/603858232.db2.gz ZUSGTNUGGGTBQG-UHFFFAOYSA-N -1 1 324.380 2.952 20 10 DFCDMM CCOc1ccc(O)c(CN(CC(=O)[O-])Cc2ccccc2)c1 ZINC000833663162 604560728 /nfs/dbraw/zinc/56/07/28/604560728.db2.gz QYXKYYALKZFBJT-UHFFFAOYSA-N -1 1 315.369 2.878 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000833815792 605602776 /nfs/dbraw/zinc/60/27/76/605602776.db2.gz WYGYCOFIYLVEBZ-WDEREUQCSA-N -1 1 312.797 2.914 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000833815792 605602782 /nfs/dbraw/zinc/60/27/82/605602782.db2.gz WYGYCOFIYLVEBZ-WDEREUQCSA-N -1 1 312.797 2.914 20 10 DFCDMM C[C@@H]1CN(Cc2cccc(F)c2[O-])CCN1CC(F)(F)F ZINC000272462608 130032323 /nfs/dbraw/zinc/03/23/23/130032323.db2.gz QTKAXFBGUZIFFP-SNVBAGLBSA-N -1 1 306.303 2.600 20 10 DFCDMM C[C@H](NCc1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273296375 130104056 /nfs/dbraw/zinc/10/40/56/130104056.db2.gz AABQXDPXNJKXCC-ZETCQYMHSA-N -1 1 301.177 2.678 20 10 DFCDMM COC[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000284469683 131083139 /nfs/dbraw/zinc/08/31/39/131083139.db2.gz DMTYKFUKJUUKAS-RYUDHWBXSA-N -1 1 320.216 2.935 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@]23CCOC3=O)c1[O-] ZINC000186749939 426591328 /nfs/dbraw/zinc/59/13/28/426591328.db2.gz HEHFXDMYUFYWMT-MRXNPFEDSA-N -1 1 323.776 2.530 20 10 DFCDMM CC(C)OCc1nc([C@@H](C)NCc2cccc(F)c2[O-])no1 ZINC000290862345 426859243 /nfs/dbraw/zinc/85/92/43/426859243.db2.gz JSNZDYHWOMAUHI-SNVBAGLBSA-N -1 1 309.341 2.690 20 10 DFCDMM CCCCN(Cc1ccccc1O)C(=O)c1cncc([O-])c1 ZINC000283108040 426957030 /nfs/dbraw/zinc/95/70/30/426957030.db2.gz UGXSOBPMADUDDD-UHFFFAOYSA-N -1 1 300.358 2.935 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(c2ccncc2)CC1 ZINC000296831204 334237106 /nfs/dbraw/zinc/23/71/06/334237106.db2.gz SFVYNMKHXMDFIA-UHFFFAOYSA-N -1 1 316.332 2.652 20 10 DFCDMM [O-]c1c(Cl)cccc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000377693736 337058818 /nfs/dbraw/zinc/05/88/18/337058818.db2.gz HRESCSMRDVWDMJ-UHFFFAOYSA-N -1 1 321.783 2.902 20 10 DFCDMM Cn1cc(-c2nnc(NCc3c([O-])ccc(Cl)c3F)o2)cn1 ZINC000195019939 337464568 /nfs/dbraw/zinc/46/45/68/337464568.db2.gz ZSNODEINJXACMQ-UHFFFAOYSA-N -1 1 323.715 2.580 20 10 DFCDMM C[C@@H](C[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1)C(=O)[O-] ZINC000736585854 599933835 /nfs/dbraw/zinc/93/38/35/599933835.db2.gz XNCPMYKJYFNZBM-NSHDSACASA-N -1 1 300.358 2.626 20 10 DFCDMM C[C@@H](C[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1)C(=O)[O-] ZINC000736585854 599933837 /nfs/dbraw/zinc/93/38/37/599933837.db2.gz XNCPMYKJYFNZBM-NSHDSACASA-N -1 1 300.358 2.626 20 10 DFCDMM CCC[C@@](C)([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)[O-] ZINC000829202390 601417718 /nfs/dbraw/zinc/41/77/18/601417718.db2.gz NMGADMBOPUNCEP-OAHLLOKOSA-N -1 1 313.781 2.981 20 10 DFCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000086774702 604667375 /nfs/dbraw/zinc/66/73/75/604667375.db2.gz RVPQLNBLSFFOGJ-XCBNKYQSSA-N -1 1 304.173 2.852 20 10 DFCDMM CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-])C1CC1 ZINC000275779111 130383794 /nfs/dbraw/zinc/38/37/94/130383794.db2.gz RRNGUDKMXCIERU-HNNXBMFYSA-N -1 1 306.381 2.507 20 10 DFCDMM Cc1cc(Br)cc(CN2CCCOCC2)c1O ZINC000124555254 425925401 /nfs/dbraw/zinc/92/54/01/425925401.db2.gz IROHIVJQADPYOQ-UHFFFAOYSA-N -1 1 300.196 2.685 20 10 DFCDMM O=C(NCc1nc(C2CC2)cs1)c1c(F)ccc(O)c1[O-] ZINC000294912254 427666995 /nfs/dbraw/zinc/66/69/95/427666995.db2.gz KIQULQPOEBDPAV-UHFFFAOYSA-N -1 1 308.334 2.501 20 10 DFCDMM Oc1ccccc1CNCc1nnc(-c2ccncc2F)s1 ZINC000373470969 428585438 /nfs/dbraw/zinc/58/54/38/428585438.db2.gz ACSMQSRSXZQESW-UHFFFAOYSA-N -1 1 316.361 2.735 20 10 DFCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000366467221 429458564 /nfs/dbraw/zinc/45/85/64/429458564.db2.gz RDBDIUHBLLDEOX-BLLLJJGKSA-N -1 1 311.809 2.816 20 10 DFCDMM Cc1cc(Br)cc(CN2CCOC[C@@H](C)C2)c1O ZINC000378446517 333039243 /nfs/dbraw/zinc/03/92/43/333039243.db2.gz ZLCKWTPCRSZODZ-JTQLQIEISA-N -1 1 314.223 2.931 20 10 DFCDMM COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000294797364 335127413 /nfs/dbraw/zinc/12/74/13/335127413.db2.gz VSQSLXLPOUZNKF-MWLCHTKSSA-N -1 1 315.772 2.816 20 10 DFCDMM COCCO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000188826191 524037139 /nfs/dbraw/zinc/03/71/39/524037139.db2.gz DTZVJSPINRKSFY-LBPRGKRZSA-N -1 1 320.216 2.936 20 10 DFCDMM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1F ZINC000756333638 600746252 /nfs/dbraw/zinc/74/62/52/600746252.db2.gz RUWBQGKZHUVCJN-INIZCTEOSA-N -1 1 301.317 2.676 20 10 DFCDMM CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)[O-])CCCCC2)c1[O-] ZINC000825946546 601151166 /nfs/dbraw/zinc/15/11/66/601151166.db2.gz DKIADUCGWLUFTE-UHFFFAOYSA-N -1 1 309.337 2.611 20 10 DFCDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000833815789 605603317 /nfs/dbraw/zinc/60/33/17/605603317.db2.gz WYGYCOFIYLVEBZ-MNOVXSKESA-N -1 1 312.797 2.914 20 10 DFCDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000833815789 605603318 /nfs/dbraw/zinc/60/33/18/605603318.db2.gz WYGYCOFIYLVEBZ-MNOVXSKESA-N -1 1 312.797 2.914 20 10 DFCDMM C[C@@H](N1CCN(Cc2cccc(F)c2[O-])CC1)C(F)(F)F ZINC000272236737 130010020 /nfs/dbraw/zinc/01/00/20/130010020.db2.gz ACROZLQWNFLHGY-SNVBAGLBSA-N -1 1 306.303 2.600 20 10 DFCDMM C[C@H]1CN(Cc2cccc(F)c2[O-])CCN1CC(F)(F)F ZINC000272462607 130032971 /nfs/dbraw/zinc/03/29/71/130032971.db2.gz QTKAXFBGUZIFFP-JTQLQIEISA-N -1 1 306.303 2.600 20 10 DFCDMM C[C@@H](NCc1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273296371 130103478 /nfs/dbraw/zinc/10/34/78/130103478.db2.gz AABQXDPXNJKXCC-SSDOTTSWSA-N -1 1 301.177 2.678 20 10 DFCDMM Cc1csc([C@H]2COCCN2Cc2cccc(F)c2[O-])n1 ZINC000275510637 130329141 /nfs/dbraw/zinc/32/91/41/130329141.db2.gz DDUVIAHYQNBNML-CYBMUJFWSA-N -1 1 308.378 2.870 20 10 DFCDMM CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(F)cc2[O-])no1 ZINC000290157449 426704678 /nfs/dbraw/zinc/70/46/78/426704678.db2.gz LSCOQYIAMACXNT-UWVGGRQHSA-N -1 1 309.341 2.863 20 10 DFCDMM CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cn1 ZINC000296040954 427054831 /nfs/dbraw/zinc/05/48/31/427054831.db2.gz UJHNDVIECNWVFE-NWDGAFQWSA-N -1 1 317.389 2.807 20 10 DFCDMM CC1(C)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277367203 427180215 /nfs/dbraw/zinc/18/02/15/427180215.db2.gz HHNCXEPPCRCXDM-JTQLQIEISA-N -1 1 313.195 2.752 20 10 DFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCS1 ZINC000277519113 427230690 /nfs/dbraw/zinc/23/06/90/427230690.db2.gz LPIFLGQWEFUCGP-JTQLQIEISA-N -1 1 316.220 2.667 20 10 DFCDMM CS[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277550755 427239560 /nfs/dbraw/zinc/23/95/60/427239560.db2.gz OFLKDNAUROAFER-QMMMGPOBSA-N -1 1 318.236 2.913 20 10 DFCDMM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(F)(F)F ZINC000278332696 427430378 /nfs/dbraw/zinc/43/03/78/427430378.db2.gz ZMKPTMSQEJFWMY-UHFFFAOYSA-N -1 1 308.256 2.693 20 10 DFCDMM Oc1ccccc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891934 428776596 /nfs/dbraw/zinc/77/65/96/428776596.db2.gz HDHGPBVRFXVORN-BBRMVZONSA-N -1 1 305.324 2.978 20 10 DFCDMM Oc1ccccc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000374891937 428776772 /nfs/dbraw/zinc/77/67/72/428776772.db2.gz HDHGPBVRFXVORN-CZUORRHYSA-N -1 1 305.324 2.978 20 10 DFCDMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276622289 334083896 /nfs/dbraw/zinc/08/38/96/334083896.db2.gz RBRDKCJVRGPOCX-MFKMUULPSA-N -1 1 311.353 2.562 20 10 DFCDMM [O-]c1c(F)cccc1CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000378530795 337075219 /nfs/dbraw/zinc/07/52/19/337075219.db2.gz FZVOWFNALUWNJE-UHFFFAOYSA-N -1 1 324.359 2.847 20 10 DFCDMM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1cc(F)ccc1F ZINC000739499375 600300169 /nfs/dbraw/zinc/30/01/69/600300169.db2.gz JGEZDQWTDDFMER-MRXNPFEDSA-N -1 1 319.307 2.815 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC000126771342 426036053 /nfs/dbraw/zinc/03/60/53/426036053.db2.gz VZHPKKCOYVTXCN-UHFFFAOYSA-N -1 1 302.349 2.803 20 10 DFCDMM CCc1ccc([C@H](COC)NCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000174476860 426258215 /nfs/dbraw/zinc/25/82/15/426258215.db2.gz CQQCGQWFYAQFJP-AWEZNQCLSA-N -1 1 320.345 2.933 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000153977417 426416479 /nfs/dbraw/zinc/41/64/79/426416479.db2.gz NDNWFLPWMYLKNR-INIZCTEOSA-N -1 1 309.793 2.861 20 10 DFCDMM O=C(NC[C@H]1CCCCC1(F)F)c1c(F)ccc(O)c1[O-] ZINC000295322414 426908543 /nfs/dbraw/zinc/90/85/43/426908543.db2.gz DIBAJOLDJWPNBY-MRVPVSSYSA-N -1 1 303.280 2.792 20 10 DFCDMM CC(=O)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277458033 427207933 /nfs/dbraw/zinc/20/79/33/427207933.db2.gz GSEVGYCANQZASW-UHFFFAOYSA-N -1 1 314.179 2.530 20 10 DFCDMM CSC[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277532954 427232115 /nfs/dbraw/zinc/23/21/15/427232115.db2.gz MQEBJTUTRYURTA-MRVPVSSYSA-N -1 1 318.236 2.770 20 10 DFCDMM C[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000278282489 427428150 /nfs/dbraw/zinc/42/81/50/427428150.db2.gz GIEPMIIOKUKGGF-SCZZXKLOSA-N -1 1 313.195 2.610 20 10 DFCDMM C[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000278282487 427428282 /nfs/dbraw/zinc/42/82/82/427428282.db2.gz GIEPMIIOKUKGGF-PSASIEDQSA-N -1 1 313.195 2.610 20 10 DFCDMM COC(=O)[C@@H]1c2ccccc2CCN1Cc1cccc(F)c1[O-] ZINC000272280856 427696762 /nfs/dbraw/zinc/69/67/62/427696762.db2.gz MQDSXJDETUCBQT-INIZCTEOSA-N -1 1 315.344 2.804 20 10 DFCDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000297234555 277243902 /nfs/dbraw/zinc/24/39/02/277243902.db2.gz UHGVMDHXMAVQKV-SKDRFNHKSA-N -1 1 311.353 2.560 20 10 DFCDMM CC(C)c1nnc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000273466488 334047583 /nfs/dbraw/zinc/04/75/83/334047583.db2.gz IYVMKYMXEBBSTL-ZJUUUORDSA-N -1 1 319.365 2.954 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](Cc2ccccc2)C1 ZINC000276563046 334082031 /nfs/dbraw/zinc/08/20/31/334082031.db2.gz JFGXXOXSMJUXLS-ZDUSSCGKSA-N -1 1 315.344 2.942 20 10 DFCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccnc1-n1cncn1 ZINC000191554421 337299023 /nfs/dbraw/zinc/29/90/23/337299023.db2.gz PVCGZCAHUQFSIC-UHFFFAOYSA-N -1 1 319.727 2.773 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@H+](CC(=O)[O-])C2CCCC2)c1[O-] ZINC000825946796 602334986 /nfs/dbraw/zinc/33/49/86/602334986.db2.gz QIZDWAYKXHDGMJ-UHFFFAOYSA-N -1 1 309.337 2.563 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1[O-] ZINC000825946796 602334988 /nfs/dbraw/zinc/33/49/88/602334988.db2.gz QIZDWAYKXHDGMJ-UHFFFAOYSA-N -1 1 309.337 2.563 20 10 DFCDMM CN(C)c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1F ZINC000828068063 603544829 /nfs/dbraw/zinc/54/48/29/603544829.db2.gz OHYPWFPGRVMUFU-UHFFFAOYSA-N -1 1 318.352 2.666 20 10 DFCDMM CN(C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21)C(=O)[O-] ZINC000828222707 603607314 /nfs/dbraw/zinc/60/73/14/603607314.db2.gz DDBWNEAFYRYOAU-CYBMUJFWSA-N -1 1 315.373 2.515 20 10 DFCDMM CN(C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21)C(=O)[O-] ZINC000828222707 603607319 /nfs/dbraw/zinc/60/73/19/603607319.db2.gz DDBWNEAFYRYOAU-CYBMUJFWSA-N -1 1 315.373 2.515 20 10 DFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000833401500 605059074 /nfs/dbraw/zinc/05/90/74/605059074.db2.gz VOLYLRNQBBELSV-PBHICJAKSA-N -1 1 323.364 2.857 20 10 DFCDMM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834216741 605990649 /nfs/dbraw/zinc/99/06/49/605990649.db2.gz ACKDOJXAVDAJCC-SECBINFHSA-N -1 1 316.760 2.664 20 10 DFCDMM O=c1cc(/C=C/c2ccc(N3CCCCC3)cc2)nc2nc[n-]n21 ZINC000287177502 131267456 /nfs/dbraw/zinc/26/74/56/131267456.db2.gz JXPLQBIUDSQEBA-QPJJXVBHSA-N -1 1 321.384 2.578 20 10 DFCDMM C[C@@H](NCc1cn2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273588392 287041938 /nfs/dbraw/zinc/04/19/38/287041938.db2.gz OMDILZSOIMOSNB-LLVKDONJSA-N -1 1 316.361 2.684 20 10 DFCDMM CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(F)cc2[O-])no1 ZINC000290157451 426704728 /nfs/dbraw/zinc/70/47/28/426704728.db2.gz LSCOQYIAMACXNT-VHSXEESVSA-N -1 1 309.341 2.863 20 10 DFCDMM Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295209239 426863385 /nfs/dbraw/zinc/86/33/85/426863385.db2.gz ZVJCGDFWMRUNPU-CYBMUJFWSA-N -1 1 312.797 2.627 20 10 DFCDMM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1c(F)ccc(O)c1[O-] ZINC000295389177 426937431 /nfs/dbraw/zinc/93/74/31/426937431.db2.gz LAGZVWVJUIRVSZ-LLVKDONJSA-N -1 1 323.364 2.849 20 10 DFCDMM CC[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)OC ZINC000293066997 427212702 /nfs/dbraw/zinc/21/27/02/427212702.db2.gz GTNZQTHFCWZCAI-HNNXBMFYSA-N -1 1 313.781 2.680 20 10 DFCDMM COc1c([O-])c(CN2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000278305008 427426338 /nfs/dbraw/zinc/42/63/38/427426338.db2.gz WGXJWGJPCNRABL-LLVKDONJSA-N -1 1 317.345 2.687 20 10 DFCDMM C[C@H](NCc1ncn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193066256 427659779 /nfs/dbraw/zinc/65/97/79/427659779.db2.gz PRKQYHFYSYDRBV-ZETCQYMHSA-N -1 1 301.177 2.678 20 10 DFCDMM CC(C)c1nc([C@H]2CN(Cc3cccc(F)c3[O-])CCO2)no1 ZINC000371532984 428395935 /nfs/dbraw/zinc/39/59/35/428395935.db2.gz CNDFJDJIPHGVID-CYBMUJFWSA-N -1 1 321.352 2.611 20 10 DFCDMM CC(C)c1nnc2n1CCN(Cc1cccc(F)c1[O-])[C@@H]2C ZINC000368937089 429902867 /nfs/dbraw/zinc/90/28/67/429902867.db2.gz FOFWWNFFSDYUGU-LLVKDONJSA-N -1 1 304.369 2.823 20 10 DFCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000179396196 288210302 /nfs/dbraw/zinc/21/03/02/288210302.db2.gz JEKDEPUQGLDDNW-SECBINFHSA-N -1 1 300.742 2.565 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](C(F)(F)F)C1 ZINC000279096696 334105462 /nfs/dbraw/zinc/10/54/62/334105462.db2.gz AACDBOCPYXKHAM-ZETCQYMHSA-N -1 1 307.243 2.651 20 10 DFCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000251854696 604668295 /nfs/dbraw/zinc/66/82/95/604668295.db2.gz RVPQLNBLSFFOGJ-OIBJUYFYSA-N -1 1 304.173 2.852 20 10 DFCDMM CN(C)c1ccc(CN(C)Cc2ccc(NC(=O)[O-])nc2)cc1 ZINC000828356054 605494489 /nfs/dbraw/zinc/49/44/89/605494489.db2.gz URWVMXGMCRCYCL-UHFFFAOYSA-N -1 1 314.389 2.870 20 10 DFCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC000834161835 605585818 /nfs/dbraw/zinc/58/58/18/605585818.db2.gz IGTINVIIWLKKFU-YHWZYXNKSA-N -1 1 308.353 2.684 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000833815791 605602592 /nfs/dbraw/zinc/60/25/92/605602592.db2.gz WYGYCOFIYLVEBZ-QWRGUYRKSA-N -1 1 312.797 2.914 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000833815791 605602596 /nfs/dbraw/zinc/60/25/96/605602596.db2.gz WYGYCOFIYLVEBZ-QWRGUYRKSA-N -1 1 312.797 2.914 20 10 DFCDMM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834216744 605990578 /nfs/dbraw/zinc/99/05/78/605990578.db2.gz ACKDOJXAVDAJCC-VIFPVBQESA-N -1 1 316.760 2.664 20 10 DFCDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000013948429 425764407 /nfs/dbraw/zinc/76/44/07/425764407.db2.gz LNGFCEIJZNOMMK-UHFFFAOYSA-N -1 1 323.374 2.940 20 10 DFCDMM CCc1ccc([C@@H](COC)NCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000174476848 426258073 /nfs/dbraw/zinc/25/80/73/426258073.db2.gz CQQCGQWFYAQFJP-CQSZACIVSA-N -1 1 320.345 2.933 20 10 DFCDMM COc1c([O-])c(CN[C@@H](C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000290078493 426687920 /nfs/dbraw/zinc/68/79/20/426687920.db2.gz GHIFRTKTLFWUFE-LBPRGKRZSA-N -1 1 320.267 2.740 20 10 DFCDMM Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187793416 426695505 /nfs/dbraw/zinc/69/55/05/426695505.db2.gz YMSUKBNMISHMGR-UFBFGSQYSA-N -1 1 308.332 2.756 20 10 DFCDMM COc1cc(Cl)cc(C[NH2+]Cc2ncnn2C(C)(C)C)c1O ZINC000282745050 426926520 /nfs/dbraw/zinc/92/65/20/426926520.db2.gz NOJPABUAVFEVRO-UHFFFAOYSA-N -1 1 324.812 2.691 20 10 DFCDMM CCc1cnc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])s1 ZINC000295331299 426913730 /nfs/dbraw/zinc/91/37/30/426913730.db2.gz PFLTUBMNLJLZGM-UHFFFAOYSA-N -1 1 310.350 2.528 20 10 DFCDMM CC(C)c1nnc([C@@H]2COCCN2Cc2cccc(F)c2[O-])o1 ZINC000282937437 426934254 /nfs/dbraw/zinc/93/42/54/426934254.db2.gz GGZQJZKBROOPLN-ZDUSSCGKSA-N -1 1 321.352 2.611 20 10 DFCDMM CC(C)CONC(=O)NCc1cccc(Br)c1[O-] ZINC000277369855 427181204 /nfs/dbraw/zinc/18/12/04/427181204.db2.gz HNBXWWVOBXGPBH-UHFFFAOYSA-N -1 1 317.183 2.542 20 10 DFCDMM CC(C)=CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277430393 427200487 /nfs/dbraw/zinc/20/04/87/427200487.db2.gz LWNOFVNEUUPYEE-UHFFFAOYSA-N -1 1 313.195 2.920 20 10 DFCDMM CC(C)(C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277463137 427212044 /nfs/dbraw/zinc/21/20/44/427212044.db2.gz JBLXIFKGPGZNFF-UHFFFAOYSA-N -1 1 301.184 2.752 20 10 DFCDMM CC(C)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000278381143 427430950 /nfs/dbraw/zinc/43/09/50/427430950.db2.gz NCJWTZNZZSSAOM-VIFPVBQESA-N -1 1 315.211 2.998 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c1[O-] ZINC000530207184 301028814 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CC[N@@H+](CCCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000174424060 426256058 /nfs/dbraw/zinc/25/60/58/426256058.db2.gz BSXYSMDNSOHOBW-UHFFFAOYSA-N -1 1 316.195 2.841 20 10 DFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000267487081 426883905 /nfs/dbraw/zinc/88/39/05/426883905.db2.gz LRFLMBRXJLDJMN-QGZVFWFLSA-N -1 1 317.360 2.899 20 10 DFCDMM CSCC1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295408131 426944690 /nfs/dbraw/zinc/94/46/90/426944690.db2.gz HQRPTPMZVKGCRV-UHFFFAOYSA-N -1 1 313.394 2.889 20 10 DFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](CC(F)(F)F)C1 ZINC000296619840 427228049 /nfs/dbraw/zinc/22/80/49/427228049.db2.gz HCFMOSMYLDJCMB-SSDOTTSWSA-N -1 1 307.243 2.651 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000269810967 427280836 /nfs/dbraw/zinc/28/08/36/427280836.db2.gz OTGBFGYRNURKFP-QMTHXVAHSA-N -1 1 311.809 2.984 20 10 DFCDMM COC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000279150815 427576307 /nfs/dbraw/zinc/57/63/07/427576307.db2.gz 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CC(=O)c1cc(Cl)cc(CN2CCn3cc(C)nc3C2)c1[O-] ZINC000374708879 336995463 /nfs/dbraw/zinc/99/54/63/336995463.db2.gz DBASHVJOYKNPLI-UHFFFAOYSA-N -1 1 319.792 2.769 20 10 DFCDMM CC[C@H](C(=O)[O-])[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000191423714 523808949 /nfs/dbraw/zinc/80/89/49/523808949.db2.gz ZLINEEXVSDEEPQ-LLVKDONJSA-N -1 1 316.195 2.840 20 10 DFCDMM CC[C@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000191423714 523808956 /nfs/dbraw/zinc/80/89/56/523808956.db2.gz ZLINEEXVSDEEPQ-LLVKDONJSA-N -1 1 316.195 2.840 20 10 DFCDMM COC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000191674843 523997667 /nfs/dbraw/zinc/99/76/67/523997667.db2.gz LJURSMHPGBNUJG-MPKXVKKWSA-N -1 1 309.793 2.819 20 10 DFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825946567 601150565 /nfs/dbraw/zinc/15/05/65/601150565.db2.gz FFNZKHZFHQGFMS-OAHLLOKOSA-N -1 1 317.316 2.649 20 10 DFCDMM Cc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883003 601375035 /nfs/dbraw/zinc/37/50/35/601375035.db2.gz OYILLAOHNHNMIJ-AWEZNQCLSA-N -1 1 321.417 2.674 20 10 DFCDMM Oc1ccccc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826511187 608376859 /nfs/dbraw/zinc/37/68/59/608376859.db2.gz GAZIPDIAMFKLLF-UHFFFAOYSA-N -1 1 318.340 2.733 20 10 DFCDMM Oc1ccccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826511187 608376861 /nfs/dbraw/zinc/37/68/61/608376861.db2.gz GAZIPDIAMFKLLF-UHFFFAOYSA-N -1 1 318.340 2.733 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cnn(C)c2)c1[O-] ZINC000050152996 425881590 /nfs/dbraw/zinc/88/15/90/425881590.db2.gz JSOBIRAOYQHQRM-UHFFFAOYSA-N -1 1 307.781 2.614 20 10 DFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000281273630 426709266 /nfs/dbraw/zinc/70/92/66/426709266.db2.gz NXLXCTAOZWWSCW-GFCCVEGCSA-N -1 1 314.769 2.955 20 10 DFCDMM CCCCN(Cc1ccccc1O)C(=O)c1ncccc1[O-] ZINC000282503173 426919312 /nfs/dbraw/zinc/91/93/12/426919312.db2.gz NRSWMFUZMCKQBF-UHFFFAOYSA-N -1 1 300.358 2.935 20 10 DFCDMM Cn1cc([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000295262129 426881798 /nfs/dbraw/zinc/88/17/98/426881798.db2.gz GYDOKVMVWNUSDR-SNVBAGLBSA-N -1 1 309.772 2.908 20 10 DFCDMM CC1CC(NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277654022 427274858 /nfs/dbraw/zinc/27/48/58/427274858.db2.gz YOPPNIJQWUJLAJ-UHFFFAOYSA-N -1 1 313.195 2.752 20 10 DFCDMM CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000293569592 427368174 /nfs/dbraw/zinc/36/81/74/427368174.db2.gz BESGDKDGJRRAJC-JTQLQIEISA-N -1 1 318.373 2.888 20 10 DFCDMM COCC1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271185750 427437966 /nfs/dbraw/zinc/43/79/66/427437966.db2.gz NGFQDXWBBGEYQO-UHFFFAOYSA-N -1 1 320.216 2.672 20 10 DFCDMM [O-]c1c(F)cccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000371561240 428398946 /nfs/dbraw/zinc/39/89/46/428398946.db2.gz QVWMGRAMYPXGHL-INIZCTEOSA-N -1 1 303.333 2.810 20 10 DFCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2COc3cccc(F)c32)c1 ZINC000374678489 428730671 /nfs/dbraw/zinc/73/06/71/428730671.db2.gz LDFICDHNZCRVIJ-LBPRGKRZSA-N -1 1 304.277 2.663 20 10 DFCDMM C[C@H](NCc1cn2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273588396 289983339 /nfs/dbraw/zinc/98/33/39/289983339.db2.gz OMDILZSOIMOSNB-NSHDSACASA-N -1 1 316.361 2.684 20 10 DFCDMM Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])s1 ZINC000276567097 334082066 /nfs/dbraw/zinc/08/20/66/334082066.db2.gz JXGBHGOIVYFNRM-MRVPVSSYSA-N -1 1 309.362 2.968 20 10 DFCDMM CC(C)c1nc(CCNC(=O)c2c(F)ccc(O)c2[O-])cs1 ZINC000276578792 334082597 /nfs/dbraw/zinc/08/25/97/334082597.db2.gz LFJNUMFHIGITGZ-UHFFFAOYSA-N -1 1 324.377 2.789 20 10 DFCDMM CCOCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000276593559 334083005 /nfs/dbraw/zinc/08/30/05/334083005.db2.gz QJRHASXPWZOCKY-UHFFFAOYSA-N -1 1 311.353 2.564 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ncon2)c1[O-] ZINC000370207356 336879578 /nfs/dbraw/zinc/87/95/78/336879578.db2.gz UGGXSZQSOUMTEM-CYBMUJFWSA-N -1 1 321.764 2.968 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000823659791 601919612 /nfs/dbraw/zinc/91/96/12/601919612.db2.gz UBPSOCWNEXVZGF-HNNXBMFYSA-N -1 1 311.765 2.545 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000823659791 601919615 /nfs/dbraw/zinc/91/96/15/601919615.db2.gz UBPSOCWNEXVZGF-HNNXBMFYSA-N -1 1 311.765 2.545 20 10 DFCDMM CCC[N@@H+](Cc1ccccc1[O-])CC1CCN(C(=O)[O-])CC1 ZINC000739359149 602183163 /nfs/dbraw/zinc/18/31/63/602183163.db2.gz IMBDLNZCQKCQOV-UHFFFAOYSA-N -1 1 306.406 2.994 20 10 DFCDMM CCC[N@H+](Cc1ccccc1[O-])CC1CCN(C(=O)[O-])CC1 ZINC000739359149 602183164 /nfs/dbraw/zinc/18/31/64/602183164.db2.gz IMBDLNZCQKCQOV-UHFFFAOYSA-N -1 1 306.406 2.994 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000833814187 605601880 /nfs/dbraw/zinc/60/18/80/605601880.db2.gz RPWQEZCWRKVMCX-QWRGUYRKSA-N -1 1 312.797 2.914 20 10 DFCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000833814187 605601886 /nfs/dbraw/zinc/60/18/86/605601886.db2.gz RPWQEZCWRKVMCX-QWRGUYRKSA-N -1 1 312.797 2.914 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000164616107 426115148 /nfs/dbraw/zinc/11/51/48/426115148.db2.gz AHEKVZPYELXBSW-JTQLQIEISA-N -1 1 311.765 2.545 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000164616107 426115150 /nfs/dbraw/zinc/11/51/50/426115150.db2.gz AHEKVZPYELXBSW-JTQLQIEISA-N -1 1 311.765 2.545 20 10 DFCDMM COC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000177045597 426439685 /nfs/dbraw/zinc/43/96/85/426439685.db2.gz UVBVDCAPRCONAL-UHFFFAOYSA-N -1 1 313.781 2.632 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000269810969 427282133 /nfs/dbraw/zinc/28/21/33/427282133.db2.gz OTGBFGYRNURKFP-YGRLFVJLSA-N -1 1 311.809 2.984 20 10 DFCDMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000191674827 427404791 /nfs/dbraw/zinc/40/47/91/427404791.db2.gz LJURSMHPGBNUJG-QKCSRTOESA-N -1 1 309.793 2.819 20 10 DFCDMM CN1CCc2cc(CNC(=O)c3c(F)ccc([O-])c3F)ccc21 ZINC000368132841 429796352 /nfs/dbraw/zinc/79/63/52/429796352.db2.gz RWTOYNBLMXDCAF-UHFFFAOYSA-N -1 1 318.323 2.593 20 10 DFCDMM C[C@@H]1CCOCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000368132135 429796362 /nfs/dbraw/zinc/79/63/62/429796362.db2.gz PKKNCQBOORXWKH-SECBINFHSA-N -1 1 300.742 2.565 20 10 DFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000276547877 334081629 /nfs/dbraw/zinc/08/16/29/334081629.db2.gz HACBRTZFUGYMBS-LLVKDONJSA-N -1 1 323.345 2.512 20 10 DFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCCO1 ZINC000739793365 600316040 /nfs/dbraw/zinc/31/60/40/600316040.db2.gz GWHOGHXCFPXORH-CYBMUJFWSA-N -1 1 313.781 2.501 20 10 DFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCCO1 ZINC000739793365 600316042 /nfs/dbraw/zinc/31/60/42/600316042.db2.gz GWHOGHXCFPXORH-CYBMUJFWSA-N -1 1 313.781 2.501 20 10 DFCDMM O=C([O-])NC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000834225402 605575827 /nfs/dbraw/zinc/57/58/27/605575827.db2.gz ODPPQOJWYGIVAB-QMMMGPOBSA-N -1 1 319.188 2.789 20 10 DFCDMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1[O-] ZINC000834095384 606062492 /nfs/dbraw/zinc/06/24/92/606062492.db2.gz MLHJGOVRIPXIGM-NEPJUHHUSA-N -1 1 310.781 2.762 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000230359476 426647598 /nfs/dbraw/zinc/64/75/98/426647598.db2.gz XHKBUMDXBLXTSE-MRXNPFEDSA-N -1 1 311.809 2.985 20 10 DFCDMM CC(C)OCc1nc([C@H](C)NCc2cccc(F)c2[O-])no1 ZINC000290862341 426858991 /nfs/dbraw/zinc/85/89/91/426858991.db2.gz JSNZDYHWOMAUHI-JTQLQIEISA-N -1 1 309.341 2.690 20 10 DFCDMM CCCc1nc(C)c(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000291766448 426980580 /nfs/dbraw/zinc/98/05/80/426980580.db2.gz SHCYBKWUKCRAFQ-UHFFFAOYSA-N -1 1 305.334 2.839 20 10 DFCDMM O=C(NC[C@H]1CCCC(F)(F)C1)c1c(F)ccc(O)c1[O-] ZINC000295817850 427017568 /nfs/dbraw/zinc/01/75/68/427017568.db2.gz BTQXFHFCGRJFKO-QMMMGPOBSA-N -1 1 303.280 2.792 20 10 DFCDMM CSCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277607408 427257819 /nfs/dbraw/zinc/25/78/19/427257819.db2.gz UYDYABPYRYPVFT-UHFFFAOYSA-N -1 1 304.209 2.524 20 10 DFCDMM CCCCCN(CC(N)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184744252 427529711 /nfs/dbraw/zinc/52/97/11/427529711.db2.gz NZHGZFDGSNOLNF-UHFFFAOYSA-N -1 1 314.813 2.532 20 10 DFCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2COc3cccc(F)c32)c1 ZINC000374678488 428730927 /nfs/dbraw/zinc/73/09/27/428730927.db2.gz LDFICDHNZCRVIJ-GFCCVEGCSA-N -1 1 304.277 2.663 20 10 DFCDMM Oc1ccccc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891936 428778213 /nfs/dbraw/zinc/77/82/13/428778213.db2.gz HDHGPBVRFXVORN-CJNGLKHVSA-N -1 1 305.324 2.978 20 10 DFCDMM O=C1CN(Cc2c([O-])cccc2Cl)CN1CCC(F)(F)F ZINC000295107602 335132122 /nfs/dbraw/zinc/13/21/22/335132122.db2.gz VRPKISITAVJWBG-UHFFFAOYSA-N -1 1 322.714 2.600 20 10 DFCDMM CC(C)c1nnc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000273466466 334047604 /nfs/dbraw/zinc/04/76/04/334047604.db2.gz IYVMKYMXEBBSTL-UWVGGRQHSA-N -1 1 319.365 2.954 20 10 DFCDMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276622291 334083886 /nfs/dbraw/zinc/08/38/86/334083886.db2.gz RBRDKCJVRGPOCX-ZWNOBZJWSA-N -1 1 311.353 2.562 20 10 DFCDMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276622284 334083995 /nfs/dbraw/zinc/08/39/95/334083995.db2.gz RBRDKCJVRGPOCX-GWCFXTLKSA-N -1 1 311.353 2.562 20 10 DFCDMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000191674862 523813481 /nfs/dbraw/zinc/81/34/81/523813481.db2.gz LJURSMHPGBNUJG-OSMZGAPFSA-N -1 1 309.793 2.819 20 10 DFCDMM C[C@H](NCc1nnc2n1CCCCC2)c1ccc(F)c(F)c1[O-] ZINC000191185929 525494954 /nfs/dbraw/zinc/49/49/54/525494954.db2.gz HFSPGLYCBKLQMG-JTQLQIEISA-N -1 1 322.359 2.839 20 10 DFCDMM CCN(CC)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736533311 599412147 /nfs/dbraw/zinc/41/21/47/599412147.db2.gz YONSGMBIDYWFIV-UHFFFAOYSA-N -1 1 323.404 2.720 20 10 DFCDMM CCN(CC)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736533311 599412148 /nfs/dbraw/zinc/41/21/48/599412148.db2.gz YONSGMBIDYWFIV-UHFFFAOYSA-N -1 1 323.404 2.720 20 10 DFCDMM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1F ZINC000756333639 600746440 /nfs/dbraw/zinc/74/64/40/600746440.db2.gz RUWBQGKZHUVCJN-MRXNPFEDSA-N -1 1 301.317 2.676 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C(C)C)c1[O-] ZINC000825946778 601418941 /nfs/dbraw/zinc/41/89/41/601418941.db2.gz PQZRHZXWILVYLV-UHFFFAOYSA-N -1 1 313.781 2.933 20 10 DFCDMM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Br)ccc1[O-] ZINC000828664953 601432529 /nfs/dbraw/zinc/43/25/29/601432529.db2.gz MFJNRLBMXPIFBD-ZDUSSCGKSA-N -1 1 316.195 2.888 20 10 DFCDMM COc1ccc(O)c(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833733927 605230452 /nfs/dbraw/zinc/23/04/52/605230452.db2.gz VZCCJRXRKFUXCS-UHFFFAOYSA-N -1 1 305.330 2.632 20 10 DFCDMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834110544 605562510 /nfs/dbraw/zinc/56/25/10/605562510.db2.gz XGWXXFVYGUMKBH-IUODEOHRSA-N -1 1 322.380 2.886 20 10 DFCDMM O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834110543 605562831 /nfs/dbraw/zinc/56/28/31/605562831.db2.gz XGWXXFVYGUMKBH-DOMZBBRYSA-N -1 1 322.380 2.886 20 10 DFCDMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000297234553 535099542 /nfs/dbraw/zinc/09/95/42/535099542.db2.gz UHGVMDHXMAVQKV-JOYOIKCWSA-N -1 1 311.353 2.560 20 10 DFCDMM Cc1csc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000294981262 131876609 /nfs/dbraw/zinc/87/66/09/131876609.db2.gz PKOBQQGZIFOOQG-ZETCQYMHSA-N -1 1 310.350 2.535 20 10 DFCDMM COCC1=CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000187622019 426678478 /nfs/dbraw/zinc/67/84/78/426678478.db2.gz UFMAYPPLIQMTJJ-UHFFFAOYSA-N -1 1 312.753 2.732 20 10 DFCDMM [O-]c1c(F)cccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281890934 426786171 /nfs/dbraw/zinc/78/61/71/426786171.db2.gz YDBPLRWQUKSUHU-GOEBONIOSA-N -1 1 305.324 2.978 20 10 DFCDMM Cc1csc(CCCCNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000276652397 427115864 /nfs/dbraw/zinc/11/58/64/427115864.db2.gz ZEBQUXNMQOYWOM-UHFFFAOYSA-N -1 1 324.377 2.755 20 10 DFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2cnccn2)c1[O-] ZINC000271292899 427485373 /nfs/dbraw/zinc/48/53/73/427485373.db2.gz CPKOLGMTQASOHT-UHFFFAOYSA-N -1 1 319.792 2.713 20 10 DFCDMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1c(F)ccc(O)c1[O-] ZINC000294926352 427665543 /nfs/dbraw/zinc/66/55/43/427665543.db2.gz LDEQBHACHGDPKU-LALPHHSUSA-N -1 1 313.328 2.553 20 10 DFCDMM Cc1csc([C@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000294981259 427668241 /nfs/dbraw/zinc/66/82/41/427668241.db2.gz PKOBQQGZIFOOQG-SSDOTTSWSA-N -1 1 310.350 2.535 20 10 DFCDMM CC(=O)c1cc(Cl)cc(CN2CCc3c(ncn3C)C2)c1[O-] ZINC000365884935 429396463 /nfs/dbraw/zinc/39/64/63/429396463.db2.gz KKQRQMCLUDJSPB-UHFFFAOYSA-N -1 1 319.792 2.540 20 10 DFCDMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1c([O-])c(O)ccc1F ZINC000276501326 334080224 /nfs/dbraw/zinc/08/02/24/334080224.db2.gz CHNFOVRZTBIWMR-DIOULYMOSA-N -1 1 313.328 2.695 20 10 DFCDMM CCc1nc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cs1 ZINC000276505068 334080347 /nfs/dbraw/zinc/08/03/47/334080347.db2.gz 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