smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)c1 ZINC000057118640 205154792 /nfs/dbraw/zinc/15/47/92/205154792.db2.gz XCNBZIJWCVESLZ-UHFFFAOYSA-N -2 3 375.450 3.129 10 0 GGAEHL CSCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000023190424 564323279 /nfs/dbraw/zinc/32/32/79/564323279.db2.gz REYBUMXZYVWRCX-UHFFFAOYSA-N -2 3 386.882 3.148 10 0 GGAEHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000129114035 564639065 /nfs/dbraw/zinc/63/90/65/564639065.db2.gz SFWMDKHKZZQLMS-UHFFFAOYSA-N -2 3 375.837 3.200 10 0 GGAEHL COc1ccc2nc(-c3cc(Br)c([O-])c(OC)c3)[n-]c(=O)c2c1 ZINC000130617718 564686830 /nfs/dbraw/zinc/68/68/30/564686830.db2.gz NAZYNRVHPCCSAW-UHFFFAOYSA-N -2 3 377.194 3.075 10 0 GGAEHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Br ZINC000131409822 564710903 /nfs/dbraw/zinc/71/09/03/564710903.db2.gz VDRAJDPODZRYIA-UHFFFAOYSA-N -2 3 390.230 3.493 10 0 GGAEHL CSCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000066588241 564770479 /nfs/dbraw/zinc/77/04/79/564770479.db2.gz BJAIVTNFFKNXSA-UHFFFAOYSA-N -2 3 381.475 3.122 10 0 GGAEHL Nc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000095961503 564899812 /nfs/dbraw/zinc/89/98/12/564899812.db2.gz DMKVDUUEQHUOQH-UHFFFAOYSA-N -2 3 397.186 3.353 10 0 GGAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Br)cc2c1OCC2 ZINC000184514269 565140927 /nfs/dbraw/zinc/14/09/27/565140927.db2.gz XQEDPCLCKVVRKS-UHFFFAOYSA-N -2 3 388.214 3.030 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000164876609 565364534 /nfs/dbraw/zinc/36/45/34/565364534.db2.gz RMWIFDZDAWMFRM-WCQYABFASA-N -2 3 396.690 3.024 10 0 GGAEHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000401550940 565580834 /nfs/dbraw/zinc/58/08/34/565580834.db2.gz IANQMKOTRLJIQT-SNVBAGLBSA-N -2 3 398.706 3.270 10 0 GGAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC1CC1 ZINC000405202087 565585366 /nfs/dbraw/zinc/58/53/66/565585366.db2.gz BFEJKRQNWMASTD-SECBINFHSA-N -2 3 385.791 3.138 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325801374 565622231 /nfs/dbraw/zinc/62/22/31/565622231.db2.gz PKQPGJRTMPPVRD-KOLCDFICSA-N -2 3 385.791 3.281 10 0 GGAEHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000327444923 565630776 /nfs/dbraw/zinc/63/07/76/565630776.db2.gz AWZSYHQUKLARLE-UHFFFAOYSA-N -2 3 383.809 3.016 10 0 GGAEHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000193403720 565749825 /nfs/dbraw/zinc/74/98/25/565749825.db2.gz SULLPRZZFBJEFY-QPJJXVBHSA-N -2 3 393.237 3.037 10 0 GGAEHL COc1sc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000195503376 565888270 /nfs/dbraw/zinc/88/82/70/565888270.db2.gz WQSPHEPUGKBCNS-HWKANZROSA-N -2 3 399.266 3.099 10 0 GGAEHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000414331336 565912338 /nfs/dbraw/zinc/91/23/38/565912338.db2.gz QSDVJOUDAUTVTG-ZANVPECISA-N -2 3 383.363 3.313 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235727361 565937089 /nfs/dbraw/zinc/93/70/89/565937089.db2.gz LYFPIKJSIISAHM-AAEUAGOBSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235733127 565937144 /nfs/dbraw/zinc/93/71/44/565937144.db2.gz LYFPIKJSIISAHM-YPMHNXCESA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cc([O-])cc(Br)c3)cn21 ZINC000416968615 566117251 /nfs/dbraw/zinc/11/72/51/566117251.db2.gz ZBTJMDUZQMMRQK-SECBINFHSA-N -2 3 386.271 3.049 10 0 GGAEHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3s[n-]c(=O)c3Cl)c2)n1 ZINC000367395845 566198880 /nfs/dbraw/zinc/19/88/80/566198880.db2.gz ZDBBELMPQDZMHY-UHFFFAOYSA-N -2 3 376.825 3.479 10 0 GGAEHL FC(F)(F)c1nc(CN=c2[n-]c(C(F)(F)F)c(Br)s2)n[n-]1 ZINC000418912568 566228165 /nfs/dbraw/zinc/22/81/65/566228165.db2.gz FDGBQRHZCSUGLB-UHFFFAOYSA-N -2 3 396.114 3.095 10 0 GGAEHL FC(F)(F)c1nnc(CN=c2[n-]c(C(F)(F)F)c(Br)s2)[n-]1 ZINC000418912568 566228167 /nfs/dbraw/zinc/22/81/67/566228167.db2.gz FDGBQRHZCSUGLB-UHFFFAOYSA-N -2 3 396.114 3.095 10 0 GGAEHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000421149230 566350131 /nfs/dbraw/zinc/35/01/31/566350131.db2.gz HMCIEYPFWVNRGA-JTQLQIEISA-N -2 3 384.281 3.494 10 0 GGAEHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000484844025 566460204 /nfs/dbraw/zinc/46/02/04/566460204.db2.gz FKNUVWDJTBOITB-CQSZACIVSA-N -2 3 385.844 3.234 10 0 GGAEHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000558473237 566477859 /nfs/dbraw/zinc/47/78/59/566477859.db2.gz ACFCMOBTMLBSCY-UHFFFAOYSA-N -2 3 388.214 3.228 10 0 GGAEHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000560078491 566596956 /nfs/dbraw/zinc/59/69/56/566596956.db2.gz RNYWTDPFZJDWEM-QMMMGPOBSA-N -2 3 398.706 3.270 10 0 GGAEHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560083889 566597029 /nfs/dbraw/zinc/59/70/29/566597029.db2.gz VIYXSTLMIDBVPU-SNVBAGLBSA-N -2 3 398.706 3.270 10 0 GGAEHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560079394 566597041 /nfs/dbraw/zinc/59/70/41/566597041.db2.gz VTZFKGDSVHXAGP-MRVPVSSYSA-N -2 3 384.679 3.024 10 0 GGAEHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000629296738 566638797 /nfs/dbraw/zinc/63/87/97/566638797.db2.gz IGISAQAPULEPPS-UHFFFAOYSA-N -2 3 396.278 3.066 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000580081644 566663188 /nfs/dbraw/zinc/66/31/88/566663188.db2.gz ALQZNCCTZWFQDE-GFCCVEGCSA-N -2 3 377.340 3.101 10 0 GGAEHL CC(C)(C)c1nnsc1C(=O)[N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700358 566698524 /nfs/dbraw/zinc/69/85/24/566698524.db2.gz SXWFYIMNIOOSLE-UHFFFAOYSA-N -2 3 378.845 3.232 10 0 GGAEHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1F ZINC000580685932 566715056 /nfs/dbraw/zinc/71/50/56/566715056.db2.gz MIUVGDOJUPVZIM-UHFFFAOYSA-N -2 3 379.743 3.397 10 0 GGAEHL COc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c(Br)c1[O-] ZINC000426762729 566727301 /nfs/dbraw/zinc/72/73/01/566727301.db2.gz MUQLFZIXBVOEFN-AWEZNQCLSA-N -2 3 384.201 3.218 10 0 GGAEHL COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)c(Br)c1[O-] ZINC000426783421 566728810 /nfs/dbraw/zinc/72/88/10/566728810.db2.gz LBMBKTBTKUFAOZ-OAHLLOKOSA-N -2 3 396.237 3.087 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c(F)cc1Br ZINC000562737822 566818542 /nfs/dbraw/zinc/81/85/42/566818542.db2.gz PXWLSUVWOCMGHF-UHFFFAOYSA-N -2 3 396.278 3.066 10 0 GGAEHL O=C(Nc1cc(I)ccc1[O-])c1c([O-])cc(F)cc1F ZINC000610486447 566834284 /nfs/dbraw/zinc/83/42/84/566834284.db2.gz XZMSLMFWBTWKOI-UHFFFAOYSA-N -2 3 391.111 3.233 10 0 GGAEHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1c(C)sc2c1cccc2C)C(=O)[O-] ZINC000582235046 566842266 /nfs/dbraw/zinc/84/22/66/566842266.db2.gz KDOSNRMPZYVYCZ-GFCCVEGCSA-N -2 3 396.515 3.387 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccsc1 ZINC000518276284 566874224 /nfs/dbraw/zinc/87/42/24/566874224.db2.gz DPHYEKFUIAQNBC-LLVKDONJSA-N -2 3 397.371 3.400 10 0 GGAEHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656513385 566906544 /nfs/dbraw/zinc/90/65/44/566906544.db2.gz WWWMYGAGZNVLTN-QMMMGPOBSA-N -2 3 384.679 3.024 10 0 GGAEHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656511676 566906651 /nfs/dbraw/zinc/90/66/51/566906651.db2.gz XVAUSNVDLXORNN-VIFPVBQESA-N -2 3 398.706 3.414 10 0 GGAEHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(Br)c2)c1 ZINC000583008414 566913305 /nfs/dbraw/zinc/91/33/05/566913305.db2.gz QSXNNXDYLOEWLR-UHFFFAOYSA-N -2 3 388.214 3.228 10 0 GGAEHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-])C1CCCC1 ZINC000656627469 566926120 /nfs/dbraw/zinc/92/61/20/566926120.db2.gz BJIUOAPAIYMRPX-AWEZNQCLSA-N -2 3 383.388 3.238 10 0 GGAEHL CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-])C1CCCC1 ZINC000656627470 566926453 /nfs/dbraw/zinc/92/64/53/566926453.db2.gz BJIUOAPAIYMRPX-CQSZACIVSA-N -2 3 383.388 3.238 10 0 GGAEHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000519271997 566929357 /nfs/dbraw/zinc/92/93/57/566929357.db2.gz SNOYTCFDXSWRMW-UHFFFAOYSA-N -2 3 384.797 3.364 10 0 GGAEHL Cc1nc([C@@H](C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)sc1C(=O)[O-] ZINC000656713619 566935283 /nfs/dbraw/zinc/93/52/83/566935283.db2.gz ONXJVYNDJKMVLM-MRVPVSSYSA-N -2 3 392.861 3.123 10 0 GGAEHL Cc1nc([C@H](C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)sc1C(=O)[O-] ZINC000656713620 566935809 /nfs/dbraw/zinc/93/58/09/566935809.db2.gz ONXJVYNDJKMVLM-QMMMGPOBSA-N -2 3 392.861 3.123 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)cc1F ZINC000583337512 566940889 /nfs/dbraw/zinc/94/08/89/566940889.db2.gz RGMFFEDEVOPYAY-QMMMGPOBSA-N -2 3 391.770 3.109 10 0 GGAEHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000681573218 566987937 /nfs/dbraw/zinc/98/79/37/566987937.db2.gz PELZXOODSJTDTD-CYBMUJFWSA-N -2 3 385.844 3.324 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000681574495 566988676 /nfs/dbraw/zinc/98/86/76/566988676.db2.gz GLROZDXCSCKSQX-SNVBAGLBSA-N -2 3 381.809 3.174 10 0 GGAEHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000431173561 567061783 /nfs/dbraw/zinc/06/17/83/567061783.db2.gz SPIJDUXVSNQUJM-UHFFFAOYSA-N -2 3 395.742 3.022 10 0 GGAEHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1 ZINC000547541719 567217263 /nfs/dbraw/zinc/21/72/63/567217263.db2.gz IWQYXRQZOGRCLA-CYBMUJFWSA-N -2 3 383.422 3.436 10 0 GGAEHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000547545672 567218538 /nfs/dbraw/zinc/21/85/38/567218538.db2.gz WYTZMYFBWSSPSJ-UHFFFAOYSA-N -2 3 377.752 3.440 10 0 GGAEHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n1 ZINC000547553725 567220693 /nfs/dbraw/zinc/22/06/93/567220693.db2.gz GGIWYXLASFOFBI-UHFFFAOYSA-N -2 3 388.879 3.188 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@]3(C)C(=O)[O-])s2)cs1 ZINC000547570739 567223612 /nfs/dbraw/zinc/22/36/12/567223612.db2.gz QRXMIGDLAKCNMX-WFASDCNBSA-N -2 3 386.520 3.102 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547574183 567224468 /nfs/dbraw/zinc/22/44/68/567224468.db2.gz ATCDUKUOUGVMNH-YPMHNXCESA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000547868675 567251646 /nfs/dbraw/zinc/25/16/46/567251646.db2.gz CQQGTOGIMZUHJR-NSHDSACASA-N -2 3 397.371 3.400 10 0 GGAEHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000547868901 567252229 /nfs/dbraw/zinc/25/22/29/567252229.db2.gz WOMOONJAXHLCPU-UHFFFAOYSA-N -2 3 383.809 3.016 10 0 GGAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccc(Cl)cc1 ZINC000547878471 567255779 /nfs/dbraw/zinc/25/57/79/567255779.db2.gz MRILDRBOQLPNQU-SNVBAGLBSA-N -2 3 394.301 3.277 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(Cl)c1 ZINC000547896034 567257687 /nfs/dbraw/zinc/25/76/87/567257687.db2.gz JVOFQTMQCWWZPF-UHFFFAOYSA-N -2 3 380.731 3.253 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547895927 567258513 /nfs/dbraw/zinc/25/85/13/567258513.db2.gz CWUZARSFOFMBRW-DGCLKSJQSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])s2)cs1 ZINC000547900851 567259276 /nfs/dbraw/zinc/25/92/76/567259276.db2.gz AYYJYHZOFLLXEL-SNVBAGLBSA-N -2 3 388.536 3.348 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)c(Cl)cc1F ZINC000547913896 567262123 /nfs/dbraw/zinc/26/21/23/567262123.db2.gz URXBWFZJQZCHIE-CQSZACIVSA-N -2 3 375.780 3.031 10 0 GGAEHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000547935411 567267418 /nfs/dbraw/zinc/26/74/18/567267418.db2.gz CYHHNHURZUKJMX-JSGCOSHPSA-N -2 3 375.874 3.051 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000548193704 567287634 /nfs/dbraw/zinc/28/76/34/567287634.db2.gz NLROPRJOYYBOSF-UHFFFAOYSA-N -2 3 376.217 3.339 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000548193704 567287641 /nfs/dbraw/zinc/28/76/41/567287641.db2.gz NLROPRJOYYBOSF-UHFFFAOYSA-N -3 3 376.217 3.339 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)c(Cl)c1 ZINC000548223803 567293360 /nfs/dbraw/zinc/29/33/60/567293360.db2.gz KXFJUCQWDSGYTJ-UHFFFAOYSA-N -2 3 386.216 3.369 10 0 GGAEHL COc1ccc(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c(Cl)c1Cl ZINC000548227450 567293394 /nfs/dbraw/zinc/29/33/94/567293394.db2.gz QFWNHMLOAXCRQV-JTQLQIEISA-N -2 3 396.292 3.314 10 0 GGAEHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(Br)c2)c1F ZINC000548268236 567302359 /nfs/dbraw/zinc/30/23/59/567302359.db2.gz JATURAICKAUSDI-UHFFFAOYSA-N -2 3 392.177 3.226 10 0 GGAEHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548530896 567322786 /nfs/dbraw/zinc/32/27/86/567322786.db2.gz NYAXWQATQAPMNL-CYBMUJFWSA-N -2 3 390.244 3.106 10 0 GGAEHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000548557852 567329985 /nfs/dbraw/zinc/32/99/85/567329985.db2.gz YAZCWNPCFWVOQW-HNNXBMFYSA-N -2 3 379.821 3.060 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000548587794 567333375 /nfs/dbraw/zinc/33/33/75/567333375.db2.gz CKHODXQWVFBMIM-GFCCVEGCSA-N -2 3 396.198 3.376 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c(Cl)cc1F ZINC000548589577 567334672 /nfs/dbraw/zinc/33/46/72/567334672.db2.gz YFPGMRSPATYUHK-AWEZNQCLSA-N -2 3 393.770 3.170 10 0 GGAEHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000548879130 567357935 /nfs/dbraw/zinc/35/79/35/567357935.db2.gz DIULYRMZXNNXAD-MRVPVSSYSA-N -2 3 398.706 3.270 10 0 GGAEHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000548879131 567358172 /nfs/dbraw/zinc/35/81/72/567358172.db2.gz DIULYRMZXNNXAD-QMMMGPOBSA-N -2 3 398.706 3.270 10 0 GGAEHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000548992965 567365741 /nfs/dbraw/zinc/36/57/41/567365741.db2.gz JUXZDCALEKVFIO-LLVKDONJSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570065350 567455481 /nfs/dbraw/zinc/45/54/81/567455481.db2.gz XBIPHQCORUBWGT-ZWNOBZJWSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551246465 567491770 /nfs/dbraw/zinc/49/17/70/567491770.db2.gz ZISIRHMSYLPGJO-SECBINFHSA-N -2 3 398.706 3.414 10 0 GGAEHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCc2c(C)cccc21 ZINC000663431263 567507583 /nfs/dbraw/zinc/50/75/83/567507583.db2.gz DAJONRFBNMVXHK-CYBMUJFWSA-N -2 3 381.475 3.119 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)cc1F ZINC000571235091 567548132 /nfs/dbraw/zinc/54/81/32/567548132.db2.gz DDYBUAFVYMYFGR-UHFFFAOYSA-N -2 3 393.770 3.242 10 0 GGAEHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000530143865 567573977 /nfs/dbraw/zinc/57/39/77/567573977.db2.gz SWFJDVANTJZRLY-QMMMGPOBSA-N -2 3 398.225 3.324 10 0 GGAEHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000530435011 567601525 /nfs/dbraw/zinc/60/15/25/567601525.db2.gz CFXWUCDYMMRVQH-JTQLQIEISA-N -2 3 399.252 3.002 10 0 GGAEHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000530435012 567601803 /nfs/dbraw/zinc/60/18/03/567601803.db2.gz CFXWUCDYMMRVQH-SNVBAGLBSA-N -2 3 399.252 3.002 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1Cl ZINC000530476897 567605683 /nfs/dbraw/zinc/60/56/83/567605683.db2.gz SFUQUYLSPHYFPW-GFCCVEGCSA-N -2 3 378.208 3.237 10 0 GGAEHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000554704163 567742698 /nfs/dbraw/zinc/74/26/98/567742698.db2.gz SWPUKJFFKCGYOG-SECBINFHSA-N -2 3 398.706 3.414 10 0 GGAEHL Cc1c(C(=O)Nc2ncccc2[O-])sc2[n-]c(Cc3ccccc3)nc(=O)c12 ZINC000022264770 570311528 /nfs/dbraw/zinc/31/15/28/570311528.db2.gz YDPFJEUVKYNSPM-UHFFFAOYSA-N -2 3 392.440 3.237 10 0 GGAEHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962206 570542805 /nfs/dbraw/zinc/54/28/05/570542805.db2.gz SFUNLHGRWWGNJG-UHFFFAOYSA-N -2 3 390.461 3.234 10 0 GGAEHL Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1Cl ZINC000033114697 570813107 /nfs/dbraw/zinc/81/31/07/570813107.db2.gz JOFOQJBMQPTEID-HUUCEWRRSA-N -2 3 376.750 3.424 10 0 GGAEHL CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1[O-] ZINC000012525891 570830918 /nfs/dbraw/zinc/83/09/18/570830918.db2.gz MQLHSBVYOWDZGP-GFCCVEGCSA-N -2 3 378.450 3.186 10 0 GGAEHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(CC)CC)c(C(=O)[O-])c2)cc1 ZINC000033253654 570862039 /nfs/dbraw/zinc/86/20/39/570862039.db2.gz SLEIZYXLAQZPTN-UHFFFAOYSA-N -2 3 392.477 3.431 10 0 GGAEHL Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1Cl ZINC000102819148 570865866 /nfs/dbraw/zinc/86/58/66/570865866.db2.gz JOFOQJBMQPTEID-LSDHHAIUSA-N -2 3 376.750 3.424 10 0 GGAEHL O=c1c2[n-][n-]n(-c3ccc(F)c(Cl)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000102819043 570865895 /nfs/dbraw/zinc/86/58/95/570865895.db2.gz BMBMUXAJFVRMRJ-ZIAGYGMSSA-N -2 3 380.713 3.255 10 0 GGAEHL Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1Cl ZINC000102819151 570865915 /nfs/dbraw/zinc/86/59/15/570865915.db2.gz JOFOQJBMQPTEID-GJZGRUSLSA-N -2 3 376.750 3.424 10 0 GGAEHL COc1ccc(OC)c([C@H](c2c([O-])[nH]c(=S)[n-]c2=O)N2CCC(C)CC2)c1 ZINC000020156084 207180064 /nfs/dbraw/zinc/18/00/64/207180064.db2.gz VVBRWMFWPJXVAU-MRXNPFEDSA-N -2 3 391.493 3.389 10 0 GGAEHL COc1cccc([C@@H](c2c([O-])[nH]c(=S)[n-]c2=O)N2CCC(C)CC2)c1OC ZINC000020156102 207183116 /nfs/dbraw/zinc/18/31/16/207183116.db2.gz UDQMDXVEYORRJM-HNNXBMFYSA-N -2 3 391.493 3.389 10 0 GGAEHL O=c1c2[n-][n-]n(-c3ccc(F)c(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000096500394 208318119 /nfs/dbraw/zinc/31/81/19/208318119.db2.gz XPRNTADMVSRLKJ-IRXDYDNUSA-N -2 3 384.798 3.466 10 0 GGAEHL O=c1c2[n-][n-]n(-c3ccc(F)c(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000096500396 208318429 /nfs/dbraw/zinc/31/84/29/208318429.db2.gz XPRNTADMVSRLKJ-SJORKVTESA-N -2 3 384.798 3.466 10 0 GGAEHL O=c1c2[n-][n-]n(-c3ccc(F)c(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000096500398 208318944 /nfs/dbraw/zinc/31/89/44/208318944.db2.gz XPRNTADMVSRLKJ-DLBZAZTESA-N -2 3 384.798 3.466 10 0 GGAEHL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cccc1C(=O)N1CCCC1 ZINC000451000778 450600433 /nfs/dbraw/zinc/60/04/33/450600433.db2.gz ORSPBNFFSZIUON-UHFFFAOYSA-N -2 3 394.880 3.391 10 0 GGAEHL O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000450996779 450600970 /nfs/dbraw/zinc/60/09/70/450600970.db2.gz HKWITKKAFIQTOR-UHFFFAOYSA-N -2 3 394.880 3.359 10 0 GGAEHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007057387 564231719 /nfs/dbraw/zinc/23/17/19/564231719.db2.gz KSRXEYANIVMZMD-UHFFFAOYSA-N -2 3 375.324 3.393 10 0 GGAEHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000054795460 564608865 /nfs/dbraw/zinc/60/88/65/564608865.db2.gz GAMKUNKVPHNMIB-UHFFFAOYSA-N -3 3 390.200 3.191 10 0 GGAEHL CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000131384579 564710277 /nfs/dbraw/zinc/71/02/77/564710277.db2.gz QRMIAITVXJNJTC-UHFFFAOYSA-N -2 3 389.246 3.161 10 0 GGAEHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Cl)c(Cl)c2[O-])ccc1F ZINC000171607380 565439275 /nfs/dbraw/zinc/43/92/75/565439275.db2.gz OEMUOQUJYNAFRC-UHFFFAOYSA-N -2 3 393.223 3.462 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000313974447 565584551 /nfs/dbraw/zinc/58/45/51/565584551.db2.gz FCVZDBTVLQLWNQ-KCJUWKMLSA-N -2 3 396.690 3.024 10 0 GGAEHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314128236 565585649 /nfs/dbraw/zinc/58/56/49/565585649.db2.gz CAEIWFDDCUELOX-SNVBAGLBSA-N -2 3 398.706 3.270 10 0 GGAEHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000314203263 565585845 /nfs/dbraw/zinc/58/58/45/565585845.db2.gz JCNVERZOVINADF-UHFFFAOYSA-N -2 3 388.214 3.228 10 0 GGAEHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000327654638 565632243 /nfs/dbraw/zinc/63/22/43/565632243.db2.gz WRKIXXXPBQXCLB-UHFFFAOYSA-N -2 3 377.315 3.485 10 0 GGAEHL O=C([N-]c1nnc(C(F)(F)F)s1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000177035865 565824406 /nfs/dbraw/zinc/82/44/06/565824406.db2.gz BQOSGXZOMBLHQM-UHFFFAOYSA-N -2 3 389.746 3.354 10 0 GGAEHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000179364797 565976562 /nfs/dbraw/zinc/97/65/62/565976562.db2.gz TWUVUMFVPNPHTL-UHFFFAOYSA-N -2 3 375.233 3.323 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000556416226 566298814 /nfs/dbraw/zinc/29/88/14/566298814.db2.gz YVRFHKAWRZHTIQ-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000537196175 566430486 /nfs/dbraw/zinc/43/04/86/566430486.db2.gz YLONJAHZXCDFMF-UHFFFAOYSA-N -2 3 377.340 3.143 10 0 GGAEHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC000629290160 566637580 /nfs/dbraw/zinc/63/75/80/566637580.db2.gz NJKHISDNEIJGQV-LBPRGKRZSA-N -2 3 382.265 3.248 10 0 GGAEHL CCO[C@@H](CS(=O)(=O)[N-]c1c([O-])ccc(Br)c1C)C1CC1 ZINC000629302319 566639311 /nfs/dbraw/zinc/63/93/11/566639311.db2.gz BYGQZBJZAFOGGN-ZDUSSCGKSA-N -2 3 378.288 3.020 10 0 GGAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000630434117 566728896 /nfs/dbraw/zinc/72/88/96/566728896.db2.gz HMVWHLAJJNAOPG-KYZUINATSA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000630433989 566729015 /nfs/dbraw/zinc/72/90/15/566729015.db2.gz ASTOGRLKYOWFAN-KYZUINATSA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000630434290 566729572 /nfs/dbraw/zinc/72/95/72/566729572.db2.gz NSXCEJBYBUHSMI-CZMCAQCFSA-N -2 3 396.690 3.024 10 0 GGAEHL COc1ccc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)c(Br)c1[O-] ZINC000630463551 566734721 /nfs/dbraw/zinc/73/47/21/566734721.db2.gz CFFHECXDJOEYFS-ZETCQYMHSA-N -2 3 387.255 3.169 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000562359730 566784900 /nfs/dbraw/zinc/78/49/00/566784900.db2.gz PFMFICVZNHOFAE-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000655589709 566818146 /nfs/dbraw/zinc/81/81/46/566818146.db2.gz ZVMJYDMHQLNBOC-SECBINFHSA-N -2 3 380.304 3.229 10 0 GGAEHL C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000563227539 566866979 /nfs/dbraw/zinc/86/69/79/566866979.db2.gz UITMYOCFYDHBQD-JTQLQIEISA-N -2 3 377.409 3.000 10 0 GGAEHL O=C([O-])[C@H](CCc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cccs1 ZINC000656521195 566908061 /nfs/dbraw/zinc/90/80/61/566908061.db2.gz ZMHOVPNBOXUBNR-LBPRGKRZSA-N -2 3 393.408 3.131 10 0 GGAEHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000681561649 566984814 /nfs/dbraw/zinc/98/48/14/566984814.db2.gz JUBBLKFWCUXHDH-UHFFFAOYSA-N -2 3 380.809 3.430 10 0 GGAEHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000681571070 566986558 /nfs/dbraw/zinc/98/65/58/566986558.db2.gz LDHCPOQJNOIAQH-ZDUSSCGKSA-N -2 3 385.844 3.324 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000681572732 566988026 /nfs/dbraw/zinc/98/80/26/566988026.db2.gz VOBFWUDHWZHUPK-ZDUSSCGKSA-N -2 3 385.844 3.324 10 0 GGAEHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000681572463 566988254 /nfs/dbraw/zinc/98/82/54/566988254.db2.gz RWPFWDYWJOOGEB-NSHDSACASA-N -2 3 389.807 3.155 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000565055452 567034239 /nfs/dbraw/zinc/03/42/39/567034239.db2.gz QZTJROSVEBXLHA-YPMHNXCESA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000547542028 567217316 /nfs/dbraw/zinc/21/73/16/567217316.db2.gz VNVRLPZFYFVYII-UHFFFAOYSA-N -2 3 388.214 3.228 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547574180 567224373 /nfs/dbraw/zinc/22/43/73/567224373.db2.gz ATCDUKUOUGVMNH-AAEUAGOBSA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547584976 567225754 /nfs/dbraw/zinc/22/57/54/567225754.db2.gz VLUPSDUASXFNCW-SNVBAGLBSA-N -2 3 398.264 3.168 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 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10 0 GGAEHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000570153989 567461252 /nfs/dbraw/zinc/46/12/52/567461252.db2.gz FXCLGKYENVACEI-QWHCGFSZSA-N -2 3 375.874 3.051 10 0 GGAEHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000570153988 567461512 /nfs/dbraw/zinc/46/15/12/567461512.db2.gz FXCLGKYENVACEI-OLZOCXBDSA-N -2 3 375.874 3.051 10 0 GGAEHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000479236367 567517204 /nfs/dbraw/zinc/51/72/04/567517204.db2.gz SLMKIQNKXYEXFI-UHFFFAOYSA-N -2 3 381.837 3.472 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1c(F)cccc1F ZINC000551911551 567541699 /nfs/dbraw/zinc/54/16/99/567541699.db2.gz XQAOVIKRXAASJP-HNNXBMFYSA-N -2 3 383.397 3.284 10 0 GGAEHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)sc1C(=O)[O-] ZINC000551909953 567542408 /nfs/dbraw/zinc/54/24/08/567542408.db2.gz CXYDEDWUTAKFMZ-UHFFFAOYSA-N -2 3 388.898 3.405 10 0 GGAEHL Cc1ncsc1[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000530338015 567594174 /nfs/dbraw/zinc/59/41/74/567594174.db2.gz GDEXNGHVOPIJTB-NSHDSACASA-N -2 3 395.289 3.004 10 0 GGAEHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000530435325 567601303 /nfs/dbraw/zinc/60/13/03/567601303.db2.gz PIPXXPPMFPDWMK-SNVBAGLBSA-N -2 3 383.944 3.141 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)sc1Cl ZINC000530541311 567610450 /nfs/dbraw/zinc/61/04/50/567610450.db2.gz UFJGJEOIGBWWAD-LLVKDONJSA-N -2 3 381.809 3.092 10 0 GGAEHL CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])c1nccs1 ZINC000645975621 567686398 /nfs/dbraw/zinc/68/63/98/567686398.db2.gz GEAWWSWLKPACHD-JTQLQIEISA-N -2 3 394.396 3.290 10 0 GGAEHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-])sc21 ZINC000646031315 567689685 /nfs/dbraw/zinc/68/96/85/567689685.db2.gz FCNZRZQYHYSJIK-ZDUSSCGKSA-N -2 3 385.507 3.146 10 0 GGAEHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1Cl ZINC000481617484 567691432 /nfs/dbraw/zinc/69/14/32/567691432.db2.gz TXXVXCADLCBELI-UHFFFAOYSA-N -2 3 398.275 3.207 10 0 GGAEHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1Cl ZINC000481617484 567691437 /nfs/dbraw/zinc/69/14/37/567691437.db2.gz TXXVXCADLCBELI-UHFFFAOYSA-N -2 3 398.275 3.207 10 0 GGAEHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2ccc(C)cc2)CCC1 ZINC000646060376 567691814 /nfs/dbraw/zinc/69/18/14/567691814.db2.gz NQKZHXPFGJGYES-UHFFFAOYSA-N -2 3 381.475 3.121 10 0 GGAEHL Cc1nc(C=Cc2cc(O)ccc2Br)[n-]c(=O)c1CCC(=O)[O-] ZINC000443444365 567757342 /nfs/dbraw/zinc/75/73/42/567757342.db2.gz OOUICPCCYVNFIC-KXFIGUGUSA-N -2 3 379.210 3.146 10 0 GGAEHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000574143966 567759131 /nfs/dbraw/zinc/75/91/31/567759131.db2.gz GZDUKHCRMGHDFM-LLVKDONJSA-N -2 3 382.404 3.050 10 0 GGAEHL CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c(=O)[n-]c1=S ZINC000101456678 570824150 /nfs/dbraw/zinc/82/41/50/570824150.db2.gz JOVDPYWAYPNOAM-OAHLLOKOSA-N -2 3 386.477 3.109 10 0 GGAEHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000164239892 1423338347 /nfs/dbraw/zinc/33/83/47/1423338347.db2.gz NZRDHUIHSTUGHB-UHFFFAOYSA-N -2 3 391.456 3.258 10 0 GGAEHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000164239892 1423338354 /nfs/dbraw/zinc/33/83/54/1423338354.db2.gz NZRDHUIHSTUGHB-UHFFFAOYSA-N -2 3 391.456 3.258 10 0 GGAEHL COc1cc([O-])cc(C(=O)[O-])c1C(=O)c1c([O-])c(Cl)c(C)c(Cl)c1[O-] ZINC000084669266 211172933 /nfs/dbraw/zinc/17/29/33/211172933.db2.gz YEEFNWGKVFZRKL-UHFFFAOYSA-N -4 3 387.171 3.356 10 0 GGAEHL O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1[O-] ZINC000450987379 450601116 /nfs/dbraw/zinc/60/11/16/450601116.db2.gz KZAFXHUJMPODGD-CQSZACIVSA-N -2 3 383.853 3.404 10 0 GGAEHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000032962240 564408321 /nfs/dbraw/zinc/40/83/21/564408321.db2.gz JTWNWZKEFCQZRB-UHFFFAOYSA-N -2 3 399.266 3.014 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)s1 ZINC000129115160 564638637 /nfs/dbraw/zinc/63/86/37/564638637.db2.gz AQSMLFWWTPNOJW-UHFFFAOYSA-N -2 3 375.475 3.224 10 0 GGAEHL O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070555941 564848953 /nfs/dbraw/zinc/84/89/53/564848953.db2.gz QENWQDHBDWUCSE-PSASIEDQSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000164876862 565364711 /nfs/dbraw/zinc/36/47/11/565364711.db2.gz RMWIFDZDAWMFRM-DGCLKSJQSA-N -2 3 396.690 3.024 10 0 GGAEHL CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000392644618 565566086 /nfs/dbraw/zinc/56/60/86/565566086.db2.gz JHXHBMRUWOXEJJ-UHFFFAOYSA-N -2 3 382.825 3.106 10 0 GGAEHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000399467648 565579347 /nfs/dbraw/zinc/57/93/47/565579347.db2.gz SIAXSAGVVCEUFF-KCJUWKMLSA-N -2 3 398.706 3.126 10 0 GGAEHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1Cl ZINC000321607784 565607121 /nfs/dbraw/zinc/60/71/21/565607121.db2.gz QSDNUOOMNUEOHK-UHFFFAOYSA-N -2 3 395.289 3.243 10 0 GGAEHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000556418981 566300646 /nfs/dbraw/zinc/30/06/46/566300646.db2.gz OHBAHFHGJIKIKL-UHFFFAOYSA-N -2 3 396.690 3.026 10 0 GGAEHL CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cs1 ZINC000576231382 566327203 /nfs/dbraw/zinc/32/72/03/566327203.db2.gz FTQVAHPAAYPKHO-UHFFFAOYSA-N -2 3 388.536 3.241 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000557381986 566381086 /nfs/dbraw/zinc/38/10/86/566381086.db2.gz XHUORUSPFJOKBL-WCQYABFASA-N -2 3 385.791 3.281 10 0 GGAEHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000576875625 566386193 /nfs/dbraw/zinc/38/61/93/566386193.db2.gz LZFWAXNMKIPPHL-VHSXEESVSA-N -2 3 385.429 3.469 10 0 GGAEHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000484875335 566460795 /nfs/dbraw/zinc/46/07/95/566460795.db2.gz ZKIDIMLKDHAWTR-CQSZACIVSA-N -2 3 385.844 3.234 10 0 GGAEHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560079395 566596236 /nfs/dbraw/zinc/59/62/36/566596236.db2.gz VTZFKGDSVHXAGP-QMMMGPOBSA-N -2 3 384.679 3.024 10 0 GGAEHL CCO[C@H](CS(=O)(=O)[N-]c1c([O-])ccc(Br)c1C)C1CC1 ZINC000629302318 566638484 /nfs/dbraw/zinc/63/84/84/566638484.db2.gz BYGQZBJZAFOGGN-CYBMUJFWSA-N -2 3 378.288 3.020 10 0 GGAEHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000517732524 566844227 /nfs/dbraw/zinc/84/42/27/566844227.db2.gz BEDVZEMXDXLTOM-KWQFWETISA-N -2 3 398.706 3.126 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000563148382 566859607 /nfs/dbraw/zinc/85/96/07/566859607.db2.gz SHMWUSFSKZPORR-KOLCDFICSA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccsc1 ZINC000518276285 566874356 /nfs/dbraw/zinc/87/43/56/566874356.db2.gz DPHYEKFUIAQNBC-NSHDSACASA-N -2 3 397.371 3.400 10 0 GGAEHL CCCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000582621880 566880398 /nfs/dbraw/zinc/88/03/98/566880398.db2.gz WCLIYBMLJPBTKE-VIFPVBQESA-N -2 3 384.679 3.024 10 0 GGAEHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656518435 566907575 /nfs/dbraw/zinc/90/75/75/566907575.db2.gz VHCWLCHMQUNQOS-JTQLQIEISA-N -2 3 384.679 3.024 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656512707 566906022 /nfs/dbraw/zinc/90/60/22/566906022.db2.gz MODZQEKZNXZBTL-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656511674 566906176 /nfs/dbraw/zinc/90/61/76/566906176.db2.gz XVAUSNVDLXORNN-SECBINFHSA-N -2 3 398.706 3.414 10 0 GGAEHL C[C@@](CCF)([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000656725835 566937911 /nfs/dbraw/zinc/93/79/11/566937911.db2.gz VTKLLOOAXDZVGK-INIZCTEOSA-N -2 3 393.864 3.000 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000564276632 566960649 /nfs/dbraw/zinc/96/06/49/566960649.db2.gz HQJDEVVRGVSQCD-WCQYABFASA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000681572731 566988056 /nfs/dbraw/zinc/98/80/56/566988056.db2.gz VOBFWUDHWZHUPK-CYBMUJFWSA-N -2 3 385.844 3.324 10 0 GGAEHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1F ZINC000681573483 566988366 /nfs/dbraw/zinc/98/83/66/566988366.db2.gz XEJIUQLZNQETKP-CYBMUJFWSA-N -2 3 385.844 3.324 10 0 GGAEHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000681572460 566988399 /nfs/dbraw/zinc/98/83/99/566988399.db2.gz RWPFWDYWJOOGEB-LLVKDONJSA-N -2 3 389.807 3.155 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000564983816 567028190 /nfs/dbraw/zinc/02/81/90/567028190.db2.gz GRAGDOOSKAFNRH-KOLCDFICSA-N -2 3 385.791 3.281 10 0 GGAEHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000565965920 567114764 /nfs/dbraw/zinc/11/47/64/567114764.db2.gz IWCJQAUQYBXAPY-SNVBAGLBSA-N -2 3 396.690 3.024 10 0 GGAEHL CC(C)(C)CCS(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC000589554956 567183427 /nfs/dbraw/zinc/18/34/27/567183427.db2.gz VGAXQSXIYWZVBN-UHFFFAOYSA-N -2 3 383.251 3.175 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)c(Cl)cc1F ZINC000547602370 567229928 /nfs/dbraw/zinc/22/99/28/567229928.db2.gz SJLUGLHEGJWLPC-CQSZACIVSA-N -2 3 389.807 3.421 10 0 GGAEHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC000547612970 567231949 /nfs/dbraw/zinc/23/19/49/567231949.db2.gz OYZOBDZXEZCQIQ-LBPRGKRZSA-N -2 3 396.273 3.168 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000547869578 567251787 /nfs/dbraw/zinc/25/17/87/567251787.db2.gz MWOILARGTMHCET-NSHDSACASA-N -2 3 397.371 3.400 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000547869577 567252568 /nfs/dbraw/zinc/25/25/68/567252568.db2.gz MWOILARGTMHCET-LLVKDONJSA-N -2 3 397.371 3.400 10 0 GGAEHL Cc1nc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000547881504 567255371 /nfs/dbraw/zinc/25/53/71/567255371.db2.gz INBOPBJITWWFOS-UHFFFAOYSA-N -2 3 395.289 3.076 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(Cl)c1 ZINC000547893990 567257650 /nfs/dbraw/zinc/25/76/50/567257650.db2.gz DGDJIIZOMUGKIO-UHFFFAOYSA-N -2 3 378.793 3.494 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547895929 567258436 /nfs/dbraw/zinc/25/84/36/567258436.db2.gz CWUZARSFOFMBRW-YPMHNXCESA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])s2)cs1 ZINC000547900850 567259729 /nfs/dbraw/zinc/25/97/29/567259729.db2.gz AYYJYHZOFLLXEL-JTQLQIEISA-N -2 3 388.536 3.348 10 0 GGAEHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000547913093 567262605 /nfs/dbraw/zinc/26/26/05/567262605.db2.gz HTDVUOOQJJKVFN-WCQYABFASA-N -2 3 379.400 3.407 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F ZINC000547933117 567264994 /nfs/dbraw/zinc/26/49/94/567264994.db2.gz OBIYQSVTEFAKLF-ZDUSSCGKSA-N -2 3 396.198 3.376 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F ZINC000547933116 567265096 /nfs/dbraw/zinc/26/50/96/567265096.db2.gz OBIYQSVTEFAKLF-CYBMUJFWSA-N -2 3 396.198 3.376 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000547937746 567267116 /nfs/dbraw/zinc/26/71/16/567267116.db2.gz OMMRPPPELNHDJO-AWEZNQCLSA-N -2 3 393.770 3.003 10 0 GGAEHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000547935412 567267323 /nfs/dbraw/zinc/26/73/23/567267323.db2.gz CYHHNHURZUKJMX-OCCSQVGLSA-N -2 3 375.874 3.051 10 0 GGAEHL CCCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000567764794 567275159 /nfs/dbraw/zinc/27/51/59/567275159.db2.gz WCLIYBMLJPBTKE-SECBINFHSA-N -2 3 384.679 3.024 10 0 GGAEHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000548193422 567287301 /nfs/dbraw/zinc/28/73/01/567287301.db2.gz OIQSUNMCJMZRCK-UHFFFAOYSA-N -2 3 377.315 3.485 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000548193629 567287320 /nfs/dbraw/zinc/28/73/20/567287320.db2.gz ZHFSUFFXSJNGBM-QMMMGPOBSA-N -2 3 396.309 3.066 10 0 GGAEHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000548205768 567290140 /nfs/dbraw/zinc/29/01/40/567290140.db2.gz FKMPATIIMYTFOA-CYBMUJFWSA-N -2 3 385.844 3.009 10 0 GGAEHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000548203994 567290638 /nfs/dbraw/zinc/29/06/38/567290638.db2.gz ONTQEDPDOAUFSK-UHFFFAOYSA-N -2 3 382.850 3.126 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000548214739 567291378 /nfs/dbraw/zinc/29/13/78/567291378.db2.gz SOTQFZYXFMSACM-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548264714 567301185 /nfs/dbraw/zinc/30/11/85/567301185.db2.gz OVLZABDAOAKKDW-LBPRGKRZSA-N -2 3 398.333 3.424 10 0 GGAEHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000527301815 567329983 /nfs/dbraw/zinc/32/99/83/567329983.db2.gz XAUNNESJNSKMPE-GFCCVEGCSA-N -2 3 389.901 3.298 10 0 GGAEHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000548595051 567336496 /nfs/dbraw/zinc/33/64/96/567336496.db2.gz LEXJALVTYFBONV-GFCCVEGCSA-N -2 3 397.440 3.136 10 0 GGAEHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC000569358072 567399983 /nfs/dbraw/zinc/39/99/83/567399983.db2.gz FQIMIMJHKMXTPP-ZDUSSCGKSA-N -2 3 385.825 3.132 10 0 GGAEHL Cc1nc(C=Cc2ccc([O-])c(Br)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000436861352 567461175 /nfs/dbraw/zinc/46/11/75/567461175.db2.gz SYKICFNCRBJOHG-UTCJRWHESA-N -3 3 379.210 3.146 10 0 GGAEHL Cc1nc(C=Cc2ccc([O-])c(Br)c2)[nH]c(=O)c1CCC(=O)[O-] ZINC000436861352 567461181 /nfs/dbraw/zinc/46/11/81/567461181.db2.gz SYKICFNCRBJOHG-UTCJRWHESA-N -2 3 379.210 3.146 10 0 GGAEHL COc1cc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc(Br)c1[O-] ZINC000436963296 567470678 /nfs/dbraw/zinc/47/06/78/567470678.db2.gz GJSFGIWEEDFDBQ-UHFFFAOYSA-N -2 3 383.148 3.345 10 0 GGAEHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CCC1 ZINC000663254553 567487714 /nfs/dbraw/zinc/48/77/14/567487714.db2.gz ACQVMFJQIJIRAH-SNVBAGLBSA-N -2 3 385.791 3.138 10 0 GGAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000663254925 567488100 /nfs/dbraw/zinc/48/81/00/567488100.db2.gz MZNYFDCZOWMAHF-JTQLQIEISA-N -2 3 385.791 3.138 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)oc1C(=O)[O-] ZINC000663423783 567506783 /nfs/dbraw/zinc/50/67/83/567506783.db2.gz GSTWLUNPNVRVFO-GFCCVEGCSA-N -2 3 385.825 3.132 10 0 GGAEHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551586862 567522240 /nfs/dbraw/zinc/52/22/40/567522240.db2.gz OLPCXIPWOJPJCZ-SECBINFHSA-N -2 3 398.706 3.270 10 0 GGAEHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539070 567527064 /nfs/dbraw/zinc/52/70/64/567527064.db2.gz OWDUDGINGBEZPB-HNNXBMFYSA-N -2 3 384.885 3.101 10 0 GGAEHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000504275738 567528398 /nfs/dbraw/zinc/52/83/98/567528398.db2.gz ZEAJULXJXIEGKP-UHFFFAOYSA-N -2 3 381.406 3.333 10 0 GGAEHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000530143861 567573918 /nfs/dbraw/zinc/57/39/18/567573918.db2.gz SWFJDVANTJZRLY-MRVPVSSYSA-N -2 3 398.225 3.324 10 0 GGAEHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])c1nccs1 ZINC000645975622 567687104 /nfs/dbraw/zinc/68/71/04/567687104.db2.gz GEAWWSWLKPACHD-SNVBAGLBSA-N -2 3 394.396 3.290 10 0 GGAEHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000554704164 567743313 /nfs/dbraw/zinc/74/33/13/567743313.db2.gz SWPUKJFFKCGYOG-VIFPVBQESA-N -2 3 398.706 3.414 10 0 GGAEHL COc1ccc(Br)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000443446802 567758772 /nfs/dbraw/zinc/75/87/72/567758772.db2.gz QBLANAPNCOFGFY-CLTKARDFSA-N -2 3 393.237 3.449 10 0 GGAEHL O=c1c2[n-][n-]n(-c3ccc(F)c(Cl)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000033114694 570813118 /nfs/dbraw/zinc/81/31/18/570813118.db2.gz BMBMUXAJFVRMRJ-UONOGXRCSA-N -2 3 380.713 3.255 10 0 GGAEHL CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(OCC)cc3)C2)c(=O)[n-]c1=S ZINC000101763471 570833444 /nfs/dbraw/zinc/83/34/44/570833444.db2.gz VZAUKJJCDQHQJW-CQSZACIVSA-N -2 3 388.493 3.249 10 0 GGAEHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC000033253668 570861858 /nfs/dbraw/zinc/86/18/58/570861858.db2.gz BNTHDSLQTOPOMZ-UHFFFAOYSA-N -2 3 376.478 3.450 10 0 GGAEHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253657 570861932 /nfs/dbraw/zinc/86/19/32/570861932.db2.gz YDNCGYQRUFJVGD-UHFFFAOYSA-N -2 3 384.404 3.310 10 0 GGAEHL O=c1c2[n-][n-]n(-c3ccc(F)c(Cl)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000102819040 570865839 /nfs/dbraw/zinc/86/58/39/570865839.db2.gz BMBMUXAJFVRMRJ-KGLIPLIRSA-N -2 3 380.713 3.255 10 0 GGAEHL [NH3+][C@@H](Cc1cc(CP(=O)([O-])[O-])cc(-c2cccc3ccccc32)c1)C(=O)[O-] ZINC000001542005 212249432 /nfs/dbraw/zinc/24/94/32/212249432.db2.gz YFASPHLUVUCGGI-IBGZPJMESA-N -2 3 385.356 3.139 10 0 investigational GGAEHL CC(C)(C)c1cc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])cc(C(C)(C)C)c1 ZINC000013532373 221272246 /nfs/dbraw/zinc/27/22/46/221272246.db2.gz VJMYUIJRRBBCSU-UHFFFAOYSA-N -4 3 379.330 3.333 10 0 GGAEHL CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000450990100 450601053 /nfs/dbraw/zinc/60/10/53/450601053.db2.gz SKUPKCKNFAERMF-UHFFFAOYSA-N -2 3 385.869 3.400 10 0 GGAEHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000003251062 564193979 /nfs/dbraw/zinc/19/39/79/564193979.db2.gz KNBIHKVMWJXGCZ-UHFFFAOYSA-N -2 3 383.809 3.016 10 0 GGAEHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(F)cc1F ZINC000047383325 564519642 /nfs/dbraw/zinc/51/96/42/564519642.db2.gz ORQIMRSOEFOWSD-UHFFFAOYSA-N -2 3 381.278 3.483 10 0 GGAEHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Cl ZINC000131382836 564710229 /nfs/dbraw/zinc/71/02/29/564710229.db2.gz WKXYGJJUURGMKJ-UHFFFAOYSA-N -2 3 376.768 3.083 10 0 GGAEHL COc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1Br ZINC000131412341 564711431 /nfs/dbraw/zinc/71/14/31/564711431.db2.gz HRIJJKYTRWUPOW-UHFFFAOYSA-N -2 3 376.203 3.103 10 0 GGAEHL COc1ccc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000131412544 564711462 /nfs/dbraw/zinc/71/14/62/564711462.db2.gz RSJNLAVTRHGJJZ-UHFFFAOYSA-N -2 3 376.203 3.103 10 0 GGAEHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1c(F)cccc1Cl ZINC000133100374 564762790 /nfs/dbraw/zinc/76/27/90/564762790.db2.gz NKQBBCWEUXQSMC-UHFFFAOYSA-N -2 3 394.649 3.426 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000096837670 564903376 /nfs/dbraw/zinc/90/33/76/564903376.db2.gz CFOMNQYRYDWYIC-KOLCDFICSA-N -2 3 396.690 3.024 10 0 GGAEHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)c1nccs1 ZINC000185047594 565174157 /nfs/dbraw/zinc/17/41/57/565174157.db2.gz IZQACPQJPLOCPQ-LLVKDONJSA-N -2 3 394.396 3.290 10 0 GGAEHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000172897281 565510928 /nfs/dbraw/zinc/51/09/28/565510928.db2.gz RGNNTTBLWGAHHN-UHFFFAOYSA-N -2 3 382.507 3.291 10 0 GGAEHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000172897212 565511247 /nfs/dbraw/zinc/51/12/47/565511247.db2.gz JJJJHKXBXUTJCQ-UHFFFAOYSA-N -2 3 388.898 3.129 10 0 GGAEHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000391735580 565561605 /nfs/dbraw/zinc/56/16/05/565561605.db2.gz OMQNUAHLLKTXIC-MRVPVSSYSA-N -2 3 384.679 3.024 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314218094 565585498 /nfs/dbraw/zinc/58/54/98/565585498.db2.gz ORWGYQDVMRZUET-GWCFXTLKSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314218124 565585639 /nfs/dbraw/zinc/58/56/39/565585639.db2.gz ORWGYQDVMRZUET-MFKMUULPSA-N -2 3 396.690 3.024 10 0 GGAEHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314128233 565586557 /nfs/dbraw/zinc/58/65/57/565586557.db2.gz CAEIWFDDCUELOX-JTQLQIEISA-N -2 3 398.706 3.270 10 0 GGAEHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282910345 565802993 /nfs/dbraw/zinc/80/29/93/565802993.db2.gz GGFLQQIWXBFATF-QMMMGPOBSA-N -2 3 384.679 3.024 10 0 GGAEHL Cc1ccc(-c2csc3[n-]c(CSc4n[nH]c(=O)[n-]4)nc(=O)c23)s1 ZINC000194617815 565826406 /nfs/dbraw/zinc/82/64/06/565826406.db2.gz XQZPNTMQUYJXKP-UHFFFAOYSA-N -2 3 377.476 3.138 10 0 GGAEHL Cc1nc(C=Cc2ccc(F)cc2Br)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503650 565887821 /nfs/dbraw/zinc/88/78/21/565887821.db2.gz HXVNKARJCNFPDX-ZZXKWVIFSA-N -2 3 381.201 3.168 10 0 GGAEHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000183095051 566238138 /nfs/dbraw/zinc/23/81/38/566238138.db2.gz IVZADPIVMAYXQP-UHFFFAOYSA-N -2 3 394.193 3.242 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000557381984 566380674 /nfs/dbraw/zinc/38/06/74/566380674.db2.gz XHUORUSPFJOKBL-AAEUAGOBSA-N -2 3 385.791 3.281 10 0 GGAEHL Cc1ccc(-c2cc(=NC(=O)Cc3ccc(Br)cc3[O-])[nH][n-]2)o1 ZINC000447800713 566432435 /nfs/dbraw/zinc/43/24/35/566432435.db2.gz WKPBYGFCDSTQNV-UHFFFAOYSA-N -2 3 376.210 3.049 10 0 GGAEHL Cc1cccc2cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)sc21 ZINC000650419702 566454361 /nfs/dbraw/zinc/45/43/61/566454361.db2.gz LVIUIOIPDVPXDK-SNVBAGLBSA-N -2 3 381.397 3.141 10 0 GGAEHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000484875334 566461240 /nfs/dbraw/zinc/46/12/40/566461240.db2.gz ZKIDIMLKDHAWTR-AWEZNQCLSA-N -2 3 385.844 3.234 10 0 GGAEHL COCc1ccccc1CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000558473203 566478734 /nfs/dbraw/zinc/47/87/34/566478734.db2.gz LORMWQCITRQVIZ-UHFFFAOYSA-N -2 3 381.475 3.195 10 0 GGAEHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000560081368 566596871 /nfs/dbraw/zinc/59/68/71/566596871.db2.gz COWKKHNVFVFNMH-VIFPVBQESA-N -2 3 398.706 3.128 10 0 GGAEHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000560081366 566596885 /nfs/dbraw/zinc/59/68/85/566596885.db2.gz COWKKHNVFVFNMH-SECBINFHSA-N -2 3 398.706 3.128 10 0 GGAEHL C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000580316789 566683521 /nfs/dbraw/zinc/68/35/21/566683521.db2.gz BCGVBWRSPPPRGG-NSHDSACASA-N -2 3 375.874 3.375 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000580445797 566694169 /nfs/dbraw/zinc/69/41/69/566694169.db2.gz FKVLODZFLUCRMR-SCZZXKLOSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cscc1Br ZINC000630413860 566726432 /nfs/dbraw/zinc/72/64/32/566726432.db2.gz MJPUGSDWWBBEQJ-IUCAKERBSA-N -2 3 384.317 3.068 10 0 GGAEHL COc1cc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc(Br)c1[O-] ZINC000426777926 566729735 /nfs/dbraw/zinc/72/97/35/566729735.db2.gz RWTCTIPFBQRJRH-HNNXBMFYSA-N -2 3 396.237 3.087 10 0 GGAEHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)cc(F)c2F)o1 ZINC000562030703 566758743 /nfs/dbraw/zinc/75/87/43/566758743.db2.gz KAIJEVWJNOWQLW-UHFFFAOYSA-N -2 3 376.356 3.026 10 0 GGAEHL O=C(Nc1c([O-])cccc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000678374533 566796961 /nfs/dbraw/zinc/79/69/61/566796961.db2.gz PRTRZBONWZXOOD-UHFFFAOYSA-N -2 3 377.169 3.388 10 0 GGAEHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000581882750 566811493 /nfs/dbraw/zinc/81/14/93/566811493.db2.gz MQVQMFXEZFLRCP-QMMMGPOBSA-N -2 3 394.396 3.208 10 0 GGAEHL CC(C)(C)c1cc(Br)cc([N-]S(=O)(=O)C[C@H]2CCCO2)c1[O-] ZINC000655589468 566818340 /nfs/dbraw/zinc/81/83/40/566818340.db2.gz UMGQVMWADCLECX-LLVKDONJSA-N -2 3 392.315 3.373 10 0 GGAEHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000470240347 566860094 /nfs/dbraw/zinc/86/00/94/566860094.db2.gz SULLPRZZFBJEFY-DAXSKMNVSA-N -2 3 393.237 3.449 10 0 GGAEHL O=C([O-])[C@@H](CCc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cccs1 ZINC000656521194 566907688 /nfs/dbraw/zinc/90/76/88/566907688.db2.gz ZMHOVPNBOXUBNR-GFCCVEGCSA-N -2 3 393.408 3.131 10 0 GGAEHL C[C@](CCF)([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000656725836 566936855 /nfs/dbraw/zinc/93/68/55/566936855.db2.gz VTKLLOOAXDZVGK-MRXNPFEDSA-N -2 3 393.864 3.000 10 0 GGAEHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccccc1F)C(C)C ZINC000656720407 566937283 /nfs/dbraw/zinc/93/72/83/566937283.db2.gz VJKZVWUAWVKJQY-AWEZNQCLSA-N -2 3 387.454 3.270 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000564276630 566960473 /nfs/dbraw/zinc/96/04/73/566960473.db2.gz HQJDEVVRGVSQCD-AAEUAGOBSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000564276633 566960575 /nfs/dbraw/zinc/96/05/75/566960575.db2.gz HQJDEVVRGVSQCD-YPMHNXCESA-N -2 3 396.690 3.024 10 0 GGAEHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H](C)COC1CCCC1 ZINC000583567904 566963546 /nfs/dbraw/zinc/96/35/46/566963546.db2.gz PMNJHIZIHPVUHR-LBPRGKRZSA-N -2 3 387.523 3.444 10 0 GGAEHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000681570908 566986517 /nfs/dbraw/zinc/98/65/17/566986517.db2.gz JTRYVYCUNGELQL-NSHDSACASA-N -2 3 389.807 3.155 10 0 GGAEHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000681570904 566986819 /nfs/dbraw/zinc/98/68/19/566986819.db2.gz JTRYVYCUNGELQL-LLVKDONJSA-N -2 3 389.807 3.155 10 0 GGAEHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000681570457 566987203 /nfs/dbraw/zinc/98/72/03/566987203.db2.gz GUCDVYGRRAUEQP-LLVKDONJSA-N -2 3 389.807 3.155 10 0 GGAEHL Cc1cccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1F ZINC000681573484 566988083 /nfs/dbraw/zinc/98/80/83/566988083.db2.gz XEJIUQLZNQETKP-ZDUSSCGKSA-N -2 3 385.844 3.324 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])c(Cl)cc1F ZINC000681576680 566988442 /nfs/dbraw/zinc/98/84/42/566988442.db2.gz CISOSQGQAUSOKQ-CYBMUJFWSA-N -2 3 385.844 3.009 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000565055446 567034256 /nfs/dbraw/zinc/03/42/56/567034256.db2.gz QZTJROSVEBXLHA-AAEUAGOBSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000431179614 567063929 /nfs/dbraw/zinc/06/39/29/567063929.db2.gz CYOXETJQDYVDNA-UHFFFAOYSA-N -2 3 375.475 3.224 10 0 GGAEHL COC(=O)c1cc(Cl)cc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1[O-] ZINC000588097361 567114002 /nfs/dbraw/zinc/11/40/02/567114002.db2.gz JRVGDKWLPDYOKS-UHFFFAOYSA-N -2 3 386.187 3.452 10 0 GGAEHL CCCc1nc(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)s[n-]1 ZINC000588230407 567122217 /nfs/dbraw/zinc/12/22/17/567122217.db2.gz CVKBUCFBARGZDF-UHFFFAOYSA-N -2 3 392.282 3.317 10 0 GGAEHL CCCc1nc(=NC(=O)c2n[n-]c(-c3ccccc3)c2Br)s[n-]1 ZINC000588230407 567122225 /nfs/dbraw/zinc/12/22/25/567122225.db2.gz CVKBUCFBARGZDF-UHFFFAOYSA-N -2 3 392.282 3.317 10 0 GGAEHL C[C@H](COC1CCCC1)CS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000566834865 567194635 /nfs/dbraw/zinc/19/46/35/567194635.db2.gz IIVUTQVDRWBLPF-SNVBAGLBSA-N -2 3 377.409 3.000 10 0 GGAEHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000547556034 567220257 /nfs/dbraw/zinc/22/02/57/567220257.db2.gz XKPNFJKOQSFFQT-UHFFFAOYSA-N -2 3 399.266 3.014 10 0 GGAEHL CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000547560762 567221709 /nfs/dbraw/zinc/22/17/09/567221709.db2.gz FWQJPIBYYHNTCH-UHFFFAOYSA-N -2 3 384.797 3.310 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@]3(C)C(=O)[O-])s2)cs1 ZINC000547570730 567222902 /nfs/dbraw/zinc/22/29/02/567222902.db2.gz QRXMIGDLAKCNMX-DOMZBBRYSA-N -2 3 386.520 3.102 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@@]3(C)C(=O)[O-])s2)cs1 ZINC000547570735 567223054 /nfs/dbraw/zinc/22/30/54/567223054.db2.gz QRXMIGDLAKCNMX-IUODEOHRSA-N -2 3 386.520 3.102 10 0 GGAEHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000684655546 567225561 /nfs/dbraw/zinc/22/55/61/567225561.db2.gz RNFXZYOPUNRRKQ-UHFFFAOYSA-N -2 3 388.272 3.142 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000547594588 567228316 /nfs/dbraw/zinc/22/83/16/567228316.db2.gz DTSDJJNJMYDGNW-JTQLQIEISA-N -2 3 384.237 3.298 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)c(Cl)cc1F ZINC000547602368 567230164 /nfs/dbraw/zinc/23/01/64/567230164.db2.gz SJLUGLHEGJWLPC-AWEZNQCLSA-N -2 3 389.807 3.421 10 0 GGAEHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccc(Cl)cc1 ZINC000547878470 567255023 /nfs/dbraw/zinc/25/50/23/567255023.db2.gz MRILDRBOQLPNQU-JTQLQIEISA-N -2 3 394.301 3.277 10 0 GGAEHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000547884396 567255766 /nfs/dbraw/zinc/25/57/66/567255766.db2.gz FTPRVSFJSCVESB-UHFFFAOYSA-N -2 3 388.879 3.188 10 0 GGAEHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000547934805 567266749 /nfs/dbraw/zinc/26/67/49/567266749.db2.gz JJZHAZLTRPVCBP-UWVGGRQHSA-N -2 3 396.328 3.213 10 0 GGAEHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000547934806 567267217 /nfs/dbraw/zinc/26/72/17/567267217.db2.gz JJZHAZLTRPVCBP-VHSXEESVSA-N -2 3 396.328 3.213 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000547937747 567267468 /nfs/dbraw/zinc/26/74/68/567267468.db2.gz OMMRPPPELNHDJO-CQSZACIVSA-N -2 3 393.770 3.003 10 0 GGAEHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000547940413 567268889 /nfs/dbraw/zinc/26/88/89/567268889.db2.gz YVBWKZHFUGFUHU-LBPRGKRZSA-N -2 3 398.333 3.424 10 0 GGAEHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000548199310 567288553 /nfs/dbraw/zinc/28/85/53/567288553.db2.gz QFNSHKGHTFFCSX-UHFFFAOYSA-N -2 3 388.214 3.228 10 0 GGAEHL Cc1nc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)sc1C(=O)[O-] ZINC000548202268 567290556 /nfs/dbraw/zinc/29/05/56/567290556.db2.gz HRCFKYUNNDZRHN-UHFFFAOYSA-N -2 3 395.289 3.243 10 0 GGAEHL COc1ccc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])c(Cl)c1Cl ZINC000548227451 567292723 /nfs/dbraw/zinc/29/27/23/567292723.db2.gz QFWNHMLOAXCRQV-SNVBAGLBSA-N -2 3 396.292 3.314 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000548264658 567301133 /nfs/dbraw/zinc/30/11/33/567301133.db2.gz UCPAJUTUSFZHHQ-LLVKDONJSA-N -2 3 383.344 3.010 10 0 GGAEHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000548265755 567302639 /nfs/dbraw/zinc/30/26/39/567302639.db2.gz JCNSKIJUCFNXTF-AWEZNQCLSA-N -2 3 389.445 3.428 10 0 GGAEHL O=C(Cc1ccc(Br)cc1[O-])N=c1nc(-c2ccsc2)[n-]s1 ZINC000548402269 567313641 /nfs/dbraw/zinc/31/36/41/567313641.db2.gz NKRCKZHYPXBICN-UHFFFAOYSA-N -2 3 396.291 3.338 10 0 GGAEHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000548524470 567321582 /nfs/dbraw/zinc/32/15/82/567321582.db2.gz OCBJBDZXJGMGLU-UHFFFAOYSA-N -2 3 382.825 3.188 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(O)c1 ZINC000548521604 567321697 /nfs/dbraw/zinc/32/16/97/567321697.db2.gz WLZFHKYFIYAOLA-UHFFFAOYSA-N -2 3 376.217 3.339 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000548521604 567321700 /nfs/dbraw/zinc/32/17/00/567321700.db2.gz WLZFHKYFIYAOLA-UHFFFAOYSA-N -3 3 376.217 3.339 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c([O-])c1 ZINC000548521559 567321809 /nfs/dbraw/zinc/32/18/09/567321809.db2.gz BXDDIZNGHJBTFL-UHFFFAOYSA-N -3 3 376.217 3.339 10 0 GGAEHL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000548530217 567322931 /nfs/dbraw/zinc/32/29/31/567322931.db2.gz IFELRWXWEMRVRE-LLVKDONJSA-N -2 3 380.274 3.468 10 0 GGAEHL Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000548530219 567323507 /nfs/dbraw/zinc/32/35/07/567323507.db2.gz IFELRWXWEMRVRE-NSHDSACASA-N -2 3 380.274 3.468 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(Cl)c1 ZINC000548542825 567326323 /nfs/dbraw/zinc/32/63/23/567326323.db2.gz BXWGDKCQSKDZJC-UHFFFAOYSA-N -2 3 377.752 3.440 10 0 GGAEHL COc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c(Cl)c1Cl ZINC000548541727 567326343 /nfs/dbraw/zinc/32/63/43/567326343.db2.gz GFSWCPGIYLKDJB-MRVPVSSYSA-N -2 3 384.281 3.170 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000548577265 567332539 /nfs/dbraw/zinc/33/25/39/567332539.db2.gz LFWLSNGFQVZDHZ-LBPRGKRZSA-N -2 3 378.208 3.237 10 0 GGAEHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC000569358071 567399292 /nfs/dbraw/zinc/39/92/92/567399292.db2.gz FQIMIMJHKMXTPP-CYBMUJFWSA-N -2 3 385.825 3.132 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570065345 567455183 /nfs/dbraw/zinc/45/51/83/567455183.db2.gz XBIPHQCORUBWGT-GWCFXTLKSA-N -2 3 396.690 3.024 10 0 GGAEHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000570153987 567461979 /nfs/dbraw/zinc/46/19/79/567461979.db2.gz FXCLGKYENVACEI-CHWSQXEVSA-N -2 3 375.874 3.051 10 0 GGAEHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000570713789 567506879 /nfs/dbraw/zinc/50/68/79/567506879.db2.gz ZHWSYZFALHLRJL-GFCCVEGCSA-N -2 3 387.866 3.292 10 0 GGAEHL C[C@@H](Sc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1)C(=O)[O-] ZINC000551911848 567542496 /nfs/dbraw/zinc/54/24/96/567542496.db2.gz SSMSVUCDNVYWCT-SNVBAGLBSA-N -2 3 387.429 3.472 10 0 GGAEHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000479523372 567542471 /nfs/dbraw/zinc/54/24/71/567542471.db2.gz FRKIEGFOONIZTE-UHFFFAOYSA-N -2 3 389.832 3.401 10 0 GGAEHL O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc(Cl)cc(Br)c1[O-] ZINC000438938082 567555333 /nfs/dbraw/zinc/55/53/33/567555333.db2.gz AOCWMBYCPSFHTP-UHFFFAOYSA-N -2 3 393.628 3.267 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)sc1Cl ZINC000530541312 567610424 /nfs/dbraw/zinc/61/04/24/567610424.db2.gz UFJGJEOIGBWWAD-NSHDSACASA-N -2 3 381.809 3.092 10 0 GGAEHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(CC(=O)[O-])CCCCC1 ZINC000572218976 567622517 /nfs/dbraw/zinc/62/25/17/567622517.db2.gz IKOKYUMVENSUGD-UHFFFAOYSA-N -2 3 389.901 3.442 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000572461119 567641006 /nfs/dbraw/zinc/64/10/06/567641006.db2.gz CDGZGYUNUARVST-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](CCOC(C)(C)C)C(=O)[O-])sc21 ZINC000646031314 567689528 /nfs/dbraw/zinc/68/95/28/567689528.db2.gz FCNZRZQYHYSJIK-CYBMUJFWSA-N -2 3 385.507 3.146 10 0 GGAEHL COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)cc(Cl)c1[O-] ZINC000443062900 567727423 /nfs/dbraw/zinc/72/74/23/567727423.db2.gz XZKGKSIARHKVMV-UHFFFAOYSA-N -2 3 386.629 3.452 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000647622176 567793011 /nfs/dbraw/zinc/79/30/11/567793011.db2.gz MVCSJCPJHYYABE-SCZZXKLOSA-N -2 3 396.690 3.024 10 0 GGAEHL CCCCn1c([O-])c(C2=NN[C@@H](c3ccccc3OCC)C2)c(=O)[n-]c1=S ZINC000015834801 570272142 /nfs/dbraw/zinc/27/21/42/570272142.db2.gz LSLAGISZJOZDFY-CYBMUJFWSA-N -2 3 388.493 3.249 10 0 GGAEHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253634 570861332 /nfs/dbraw/zinc/86/13/32/570861332.db2.gz RHYAMKWRLIRZIL-UHFFFAOYSA-N -2 3 378.450 3.040 10 0 GGAEHL CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000033253655 570861670 /nfs/dbraw/zinc/86/16/70/570861670.db2.gz JHUSBVKEIAOZTA-UHFFFAOYSA-N -2 3 380.441 3.479 10 0 GGAEHL CSc1nc2ncc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cc2c(=O)[n-]1 ZINC000006653857 204188761 /nfs/dbraw/zinc/18/87/61/204188761.db2.gz DLKXMGRKPMFHON-UHFFFAOYSA-N -2 3 382.228 3.283 10 0 GGAEHL CCCc1cc(=O)[n-]c(SCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000011443618 204347127 /nfs/dbraw/zinc/34/71/27/204347127.db2.gz BFFSQAZOPBTRFJ-UHFFFAOYSA-N -2 3 387.505 3.069 10 0 GGAEHL Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000048231933 205115090 /nfs/dbraw/zinc/11/50/90/205115090.db2.gz ZUKYFTOEAYZCIT-UHFFFAOYSA-N -2 3 398.488 3.486 10 0 GGAEHL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)C1CC1 ZINC000451010631 450600773 /nfs/dbraw/zinc/60/07/73/450600773.db2.gz QQXFRXALGVHXAK-UHFFFAOYSA-N -2 3 394.880 3.357 10 0 GGAEHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1[O-] ZINC000012536197 564268096 /nfs/dbraw/zinc/26/80/96/564268096.db2.gz JDCRWYIKIFZMFT-UHFFFAOYSA-N -2 3 375.233 3.458 10 0 GGAEHL Cn1ccnc1-c1cc(NC(=O)c2cc(Br)cc(Cl)c2[O-])n[n-]1 ZINC000119713873 564284766 /nfs/dbraw/zinc/28/47/66/564284766.db2.gz IFRPJTOVDGBNHF-UHFFFAOYSA-N -2 3 396.632 3.184 10 0 GGAEHL Cn1ccnc1-c1cc(NC(=O)c2cc(Br)cc(Cl)c2[O-])[n-]n1 ZINC000119713873 564284769 /nfs/dbraw/zinc/28/47/69/564284769.db2.gz IFRPJTOVDGBNHF-UHFFFAOYSA-N -2 3 396.632 3.184 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000042317616 564445464 /nfs/dbraw/zinc/44/54/64/564445464.db2.gz YARYPDDYIPAVSR-ZETCQYMHSA-N -2 3 396.309 3.066 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000042317612 564445990 /nfs/dbraw/zinc/44/59/90/564445990.db2.gz YARYPDDYIPAVSR-SSDOTTSWSA-N -2 3 396.309 3.066 10 0 GGAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Br)c(F)cc1F ZINC000131396949 564710498 /nfs/dbraw/zinc/71/04/98/564710498.db2.gz YDFPALQHEBNOEA-UHFFFAOYSA-N -2 3 382.157 3.373 10 0 GGAEHL O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070555940 564848975 /nfs/dbraw/zinc/84/89/75/564848975.db2.gz QENWQDHBDWUCSE-WPRPVWTQSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)cc(=O)[n-]1 ZINC000102751306 564934079 /nfs/dbraw/zinc/93/40/79/564934079.db2.gz WTGYPFDBPAVKID-UHFFFAOYSA-N -2 3 381.866 3.261 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(C)c1OCC(=O)[O-] ZINC000110282574 565038287 /nfs/dbraw/zinc/03/82/87/565038287.db2.gz ZXXHHFMYEPERAV-UHFFFAOYSA-N -2 3 387.816 3.360 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(C)c1OCC(=O)[O-] ZINC000110282580 565038426 /nfs/dbraw/zinc/03/84/26/565038426.db2.gz WYYUCTTVUPBXQG-UHFFFAOYSA-N -2 3 387.816 3.360 10 0 GGAEHL COc1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000185603136 565211114 /nfs/dbraw/zinc/21/11/14/565211114.db2.gz VNGJDPKISTXKGC-UHFFFAOYSA-N -2 3 376.203 3.103 10 0 GGAEHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000391735582 565561837 /nfs/dbraw/zinc/56/18/37/565561837.db2.gz OMQNUAHLLKTXIC-QMMMGPOBSA-N -2 3 384.679 3.024 10 0 GGAEHL COc1cc(C)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1OC ZINC000392980254 565567265 /nfs/dbraw/zinc/56/72/65/565567265.db2.gz WJWRGROMRUTFTC-UHFFFAOYSA-N -2 3 385.825 3.165 10 0 GGAEHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2ccccc2F)cc(C(F)(F)F)c1 ZINC000396559159 565573365 /nfs/dbraw/zinc/57/33/65/565573365.db2.gz WZMXZZDBBPDNRY-UHFFFAOYSA-N -2 3 377.315 3.485 10 0 GGAEHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000401550936 565580150 /nfs/dbraw/zinc/58/01/50/565580150.db2.gz IANQMKOTRLJIQT-JTQLQIEISA-N -2 3 398.706 3.270 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314218109 565585832 /nfs/dbraw/zinc/58/58/32/565585832.db2.gz ORWGYQDVMRZUET-GXFFZTMASA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000314496591 565587451 /nfs/dbraw/zinc/58/74/51/565587451.db2.gz LWNKWBVGOPOVCB-UHFFFAOYSA-N -2 3 396.690 3.026 10 0 GGAEHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325065937 565620081 /nfs/dbraw/zinc/62/00/81/565620081.db2.gz UAQPOBOAXMPYJS-PSASIEDQSA-N -2 3 385.791 3.138 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000325313642 565621059 /nfs/dbraw/zinc/62/10/59/565621059.db2.gz AESMWIHIRHZHOQ-YPMHNXCESA-N -2 3 385.791 3.281 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325639662 565622615 /nfs/dbraw/zinc/62/26/15/565622615.db2.gz WDTIRAPXFODUIU-WCQYABFASA-N -2 3 385.791 3.281 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325639661 565622649 /nfs/dbraw/zinc/62/26/49/565622649.db2.gz WDTIRAPXFODUIU-DGCLKSJQSA-N -2 3 385.791 3.281 10 0 GGAEHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000328344899 565634961 /nfs/dbraw/zinc/63/49/61/565634961.db2.gz IUHVVSDCKFNTKX-PSASIEDQSA-N -2 3 385.791 3.138 10 0 GGAEHL COc1ccc(Br)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000195503197 565888036 /nfs/dbraw/zinc/88/80/36/565888036.db2.gz QBLANAPNCOFGFY-XVNBXDOJSA-N -2 3 393.237 3.037 10 0 GGAEHL Cc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(Br)c1 ZINC000195503663 565889465 /nfs/dbraw/zinc/88/94/65/565889465.db2.gz UMWHYVCYCSBUSV-FNORWQNLSA-N -2 3 377.238 3.337 10 0 GGAEHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc([O-])cc(Br)c3)cn21 ZINC000416968616 566116660 /nfs/dbraw/zinc/11/66/60/566116660.db2.gz ZBTJMDUZQMMRQK-VIFPVBQESA-N -2 3 386.271 3.049 10 0 GGAEHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000421149231 566349183 /nfs/dbraw/zinc/34/91/83/566349183.db2.gz HMCIEYPFWVNRGA-SNVBAGLBSA-N -2 3 384.281 3.494 10 0 GGAEHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000576875623 566385989 /nfs/dbraw/zinc/38/59/89/566385989.db2.gz LZFWAXNMKIPPHL-UWVGGRQHSA-N -2 3 385.429 3.469 10 0 GGAEHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(=O)[O-] ZINC000650412985 566453175 /nfs/dbraw/zinc/45/31/75/566453175.db2.gz XIMVRRIOBHTBCI-MRVPVSSYSA-N -2 3 389.779 3.018 10 0 GGAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC1CC1 ZINC000650430281 566454932 /nfs/dbraw/zinc/45/49/32/566454932.db2.gz JJYXVRCVZVAZCQ-SECBINFHSA-N -2 3 385.791 3.138 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000558695234 566500733 /nfs/dbraw/zinc/50/07/33/566500733.db2.gz SRPPJECCWVEELP-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560083562 566596436 /nfs/dbraw/zinc/59/64/36/566596436.db2.gz VIYXSTLMIDBVPU-JTQLQIEISA-N -2 3 398.706 3.270 10 0 GGAEHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cscc1Br ZINC000630413859 566726745 /nfs/dbraw/zinc/72/67/45/566726745.db2.gz MJPUGSDWWBBEQJ-DTWKUNHWSA-N -2 3 384.317 3.068 10 0 GGAEHL CCCCc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000515695593 566726847 /nfs/dbraw/zinc/72/68/47/566726847.db2.gz HIJQHMDWYLRWGM-UHFFFAOYSA-N -2 3 382.507 3.202 10 0 GGAEHL CC(C)(CC[N-]S(=O)(=O)c1cscc1Br)CCC(=O)[O-] ZINC000630413112 566726784 /nfs/dbraw/zinc/72/67/84/566726784.db2.gz CCYBHWIVCDNVDT-UHFFFAOYSA-N -2 3 384.317 3.070 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CC[C@H](C(=O)[O-])CC3)s2)cs1 ZINC000630434002 566728935 /nfs/dbraw/zinc/72/89/35/566728935.db2.gz BFSSIPQRXCLEGS-XYPYZODXSA-N -2 3 386.520 3.102 10 0 GGAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000630435700 566729923 /nfs/dbraw/zinc/72/99/23/566729923.db2.gz NEKLZAGOIUQBFG-CZMCAQCFSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000581882749 566811910 /nfs/dbraw/zinc/81/19/10/566811910.db2.gz MQVQMFXEZFLRCP-MRVPVSSYSA-N -2 3 394.396 3.208 10 0 GGAEHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000517732522 566844363 /nfs/dbraw/zinc/84/43/63/566844363.db2.gz BEDVZEMXDXLTOM-KCJUWKMLSA-N -2 3 398.706 3.126 10 0 GGAEHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656513384 566906421 /nfs/dbraw/zinc/90/64/21/566906421.db2.gz WWWMYGAGZNVLTN-MRVPVSSYSA-N -2 3 384.679 3.024 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)cc1F ZINC000583337511 566941249 /nfs/dbraw/zinc/94/12/49/566941249.db2.gz RGMFFEDEVOPYAY-MRVPVSSYSA-N -2 3 391.770 3.109 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000564276631 566960442 /nfs/dbraw/zinc/96/04/42/566960442.db2.gz HQJDEVVRGVSQCD-DGCLKSJQSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3C(=O)[O-])s2)cs1 ZINC000583752803 566980327 /nfs/dbraw/zinc/98/03/27/566980327.db2.gz COMSOJVRTKUOMT-WDEREUQCSA-N -2 3 386.520 3.102 10 0 GGAEHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000681570458 566986402 /nfs/dbraw/zinc/98/64/02/566986402.db2.gz GUCDVYGRRAUEQP-NSHDSACASA-N -2 3 389.807 3.155 10 0 GGAEHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c1Cl ZINC000681571274 566986587 /nfs/dbraw/zinc/98/65/87/566986587.db2.gz AHTGRZRZPAILNJ-GFCCVEGCSA-N -2 3 392.260 3.177 10 0 GGAEHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000681570664 566986799 /nfs/dbraw/zinc/98/67/99/566986799.db2.gz BOTSSFOQNMLREK-UHFFFAOYSA-N -2 3 388.272 3.142 10 0 GGAEHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c1Cl ZINC000681571280 566986926 /nfs/dbraw/zinc/98/69/26/566986926.db2.gz AHTGRZRZPAILNJ-LBPRGKRZSA-N -2 3 392.260 3.177 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1F ZINC000681574552 566988265 /nfs/dbraw/zinc/98/82/65/566988265.db2.gz HBTWPMKHGFNFIB-AWEZNQCLSA-N -2 3 393.770 3.252 10 0 GGAEHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000584152217 567017144 /nfs/dbraw/zinc/01/71/44/567017144.db2.gz CNGHWIICVWVCHX-CQSZACIVSA-N -2 3 390.244 3.106 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c(Cl)cc1F ZINC000657143421 567023972 /nfs/dbraw/zinc/02/39/72/567023972.db2.gz SYOPTBOQHSVCSN-YGRLFVJLSA-N -2 3 377.865 3.345 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000565055449 567034383 /nfs/dbraw/zinc/03/43/83/567034383.db2.gz QZTJROSVEBXLHA-WCQYABFASA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc2ccccc2)sc1Cl ZINC000473439458 567081558 /nfs/dbraw/zinc/08/15/58/567081558.db2.gz AUJYAWMVTDSJJE-CYBMUJFWSA-N -2 3 387.910 3.464 10 0 GGAEHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000565965919 567114132 /nfs/dbraw/zinc/11/41/32/567114132.db2.gz IWCJQAUQYBXAPY-JTQLQIEISA-N -2 3 396.690 3.024 10 0 GGAEHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(=O)[O-])c1 ZINC000565979488 567116277 /nfs/dbraw/zinc/11/62/77/567116277.db2.gz XLWZMYZRJWPPFT-UHFFFAOYSA-N -2 3 385.825 3.165 10 0 GGAEHL O=C(Nc1cc(I)ccc1[O-])c1c(F)ccc([O-])c1F ZINC000589182864 567163068 /nfs/dbraw/zinc/16/30/68/567163068.db2.gz AFLODEXEOKNJDR-UHFFFAOYSA-N -2 3 391.111 3.233 10 0 GGAEHL C[C@H](Sc1ccc([N-]S(=O)(=O)CCOCC2CCCC2)cc1)C(=O)[O-] ZINC000566844692 567195829 /nfs/dbraw/zinc/19/58/29/567195829.db2.gz NCWSGGYSUVIKNZ-ZDUSSCGKSA-N -2 3 387.523 3.200 10 0 GGAEHL C[C@@H](Sc1ccc([N-]S(=O)(=O)CCOCC2CCCC2)cc1)C(=O)[O-] ZINC000566844691 567196313 /nfs/dbraw/zinc/19/63/13/567196313.db2.gz NCWSGGYSUVIKNZ-CYBMUJFWSA-N -2 3 387.523 3.200 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(O)c1 ZINC000547542212 567217243 /nfs/dbraw/zinc/21/72/43/567217243.db2.gz XBBOHSASVHSTRX-UHFFFAOYSA-N -2 3 375.324 3.051 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000547542212 567217246 /nfs/dbraw/zinc/21/72/46/567217246.db2.gz XBBOHSASVHSTRX-UHFFFAOYSA-N -3 3 375.324 3.051 10 0 GGAEHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000547546888 567218887 /nfs/dbraw/zinc/21/88/87/567218887.db2.gz DOJSCHHZKJZGEJ-UHFFFAOYSA-N -2 3 380.731 3.253 10 0 GGAEHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])cc1Cl ZINC000547574817 567224446 /nfs/dbraw/zinc/22/44/46/567224446.db2.gz BPOSDUBABCCQPE-JTQLQIEISA-N -2 3 384.281 3.170 10 0 GGAEHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547584975 567225422 /nfs/dbraw/zinc/22/54/22/567225422.db2.gz VLUPSDUASXFNCW-JTQLQIEISA-N -2 3 398.264 3.168 10 0 GGAEHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000547610043 567231012 /nfs/dbraw/zinc/23/10/12/567231012.db2.gz XCORANNOAGCSOD-ZDUSSCGKSA-N -2 3 395.905 3.218 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000547617308 567232741 /nfs/dbraw/zinc/23/27/41/567232741.db2.gz LQGBKFBBJHLDGL-CYBMUJFWSA-N -2 3 396.198 3.376 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c(Cl)cc1F ZINC000547871463 567253900 /nfs/dbraw/zinc/25/39/00/567253900.db2.gz FZFYREUDPRTLEB-LBPRGKRZSA-N -2 3 377.846 3.343 10 0 GGAEHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547888685 567256484 /nfs/dbraw/zinc/25/64/84/567256484.db2.gz KLGAVTIEHOLYCO-LBPRGKRZSA-N -2 3 383.363 3.156 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547895928 567257749 /nfs/dbraw/zinc/25/77/49/567257749.db2.gz CWUZARSFOFMBRW-WCQYABFASA-N -2 3 396.690 3.024 10 0 GGAEHL CC[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC000547910870 567261949 /nfs/dbraw/zinc/26/19/49/567261949.db2.gz XOHJPNKCTSAKGE-SNVBAGLBSA-N -2 3 388.898 3.243 10 0 GGAEHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000547913094 567262235 /nfs/dbraw/zinc/26/22/35/567262235.db2.gz HTDVUOOQJJKVFN-YPMHNXCESA-N -2 3 379.400 3.407 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1c(F)cccc1F ZINC000547933983 567265083 /nfs/dbraw/zinc/26/50/83/567265083.db2.gz XAHXVCAESDETAX-CYBMUJFWSA-N -2 3 396.198 3.376 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000548198298 567288785 /nfs/dbraw/zinc/28/87/85/567288785.db2.gz JYFFIMUDKQWDPH-ZDUSSCGKSA-N -2 3 394.499 3.366 10 0 GGAEHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000548202698 567290522 /nfs/dbraw/zinc/29/05/22/567290522.db2.gz LDQQCPHORFQZAU-ZDUSSCGKSA-N -2 3 385.844 3.009 10 0 GGAEHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000526951068 567299609 /nfs/dbraw/zinc/29/96/09/567299609.db2.gz UGMNHCPIXDSKSO-UHFFFAOYSA-N -2 3 398.849 3.233 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000548266117 567303092 /nfs/dbraw/zinc/30/30/92/567303092.db2.gz PWKDHYZDOAORPX-CYBMUJFWSA-N -2 3 396.198 3.376 10 0 GGAEHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Br)cc(Cl)c1[O-] ZINC000527209831 567320512 /nfs/dbraw/zinc/32/05/12/567320512.db2.gz QNXGIRGTFPFGPN-NSHDSACASA-N -2 3 386.633 3.057 10 0 GGAEHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000548521846 567321283 /nfs/dbraw/zinc/32/12/83/567321283.db2.gz BCJQTFATBYDMAK-UHFFFAOYSA-N -2 3 377.315 3.485 10 0 GGAEHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])s1 ZINC000548540638 567324230 /nfs/dbraw/zinc/32/42/30/567324230.db2.gz AQWGPOBWPCTZMF-LLVKDONJSA-N -2 3 396.328 3.131 10 0 GGAEHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548557492 567328301 /nfs/dbraw/zinc/32/83/01/567328301.db2.gz APWADCQEQLYVSU-UHFFFAOYSA-N -2 3 383.809 3.016 10 0 GGAEHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000548557853 567329574 /nfs/dbraw/zinc/32/95/74/567329574.db2.gz YAZCWNPCFWVOQW-OAHLLOKOSA-N -2 3 379.821 3.060 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000569447141 567405392 /nfs/dbraw/zinc/40/53/92/567405392.db2.gz UXBGXXKILDKGCR-UHFFFAOYSA-N -2 3 385.816 3.111 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570065349 567455630 /nfs/dbraw/zinc/45/56/30/567455630.db2.gz XBIPHQCORUBWGT-MFKMUULPSA-N -2 3 396.690 3.024 10 0 GGAEHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000570153990 567461446 /nfs/dbraw/zinc/46/14/46/567461446.db2.gz FXCLGKYENVACEI-STQMWFEESA-N -2 3 375.874 3.051 10 0 GGAEHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000570503607 567491179 /nfs/dbraw/zinc/49/11/79/567491179.db2.gz SWDWXOMVPMITGL-JTQLQIEISA-N -2 3 398.706 3.270 10 0 GGAEHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551246466 567491594 /nfs/dbraw/zinc/49/15/94/567491594.db2.gz ZISIRHMSYLPGJO-VIFPVBQESA-N -2 3 398.706 3.414 10 0 GGAEHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000551245178 567492244 /nfs/dbraw/zinc/49/22/44/567492244.db2.gz ASTOGRLKYOWFAN-UHFFFAOYSA-N -2 3 396.690 3.024 10 0 GGAEHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000530435324 567601263 /nfs/dbraw/zinc/60/12/63/567601263.db2.gz PIPXXPPMFPDWMK-JTQLQIEISA-N -2 3 383.944 3.141 10 0 GGAEHL 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GGAEHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282910340 565803200 /nfs/dbraw/zinc/80/32/00/565803200.db2.gz GGFLQQIWXBFATF-MRVPVSSYSA-N -2 3 384.679 3.024 10 0 GGAEHL C[C@@H](Sc1n[nH]c(=O)[n-]1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000194621983 565826634 /nfs/dbraw/zinc/82/66/34/565826634.db2.gz KFABECINHCKFQV-ZCFIWIBFSA-N -2 3 377.476 3.390 10 0 GGAEHL Cc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000195503437 565887927 /nfs/dbraw/zinc/88/79/27/565887927.db2.gz RTGPTHNTBIBPQY-FNORWQNLSA-N -2 3 377.238 3.337 10 0 GGAEHL Cc1nc(C=Cc2ccc(Br)c(F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503652 565888128 /nfs/dbraw/zinc/88/81/28/565888128.db2.gz IAGYKHMMBHUIMV-ZZXKWVIFSA-N -2 3 381.201 3.168 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235377774 565937190 /nfs/dbraw/zinc/93/71/90/565937190.db2.gz LYFPIKJSIISAHM-DGCLKSJQSA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000556774376 566330012 /nfs/dbraw/zinc/33/00/12/566330012.db2.gz ACYNVBRHOXMZEV-SNVBAGLBSA-N -2 3 395.786 3.425 10 0 GGAEHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000556774375 566330654 /nfs/dbraw/zinc/33/06/54/566330654.db2.gz ACYNVBRHOXMZEV-JTQLQIEISA-N -2 3 395.786 3.425 10 0 GGAEHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000576875619 566386713 /nfs/dbraw/zinc/38/67/13/566386713.db2.gz LZFWAXNMKIPPHL-NXEZZACHSA-N -2 3 385.429 3.469 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)sc1C ZINC000536902213 566411080 /nfs/dbraw/zinc/41/10/80/566411080.db2.gz SNBIPVVOXZLJLG-UHFFFAOYSA-N -2 3 375.475 3.224 10 0 GGAEHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000629288419 566635209 /nfs/dbraw/zinc/63/52/09/566635209.db2.gz BEHGHOCTZNWDSW-HNNXBMFYSA-N -2 3 387.860 3.493 10 0 GGAEHL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000629288422 566635810 /nfs/dbraw/zinc/63/58/10/566635810.db2.gz BEHGHOCTZNWDSW-OAHLLOKOSA-N -2 3 387.860 3.493 10 0 GGAEHL COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c(Br)c1[O-] ZINC000426682274 566724410 /nfs/dbraw/zinc/72/44/10/566724410.db2.gz HEKXNPNCKWEKRT-HNNXBMFYSA-N -2 3 380.238 3.387 10 0 GGAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000630434237 566728876 /nfs/dbraw/zinc/72/88/76/566728876.db2.gz LWSHTZPIXGYNDP-KYZUINATSA-N -2 3 396.690 3.024 10 0 GGAEHL COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)c(Br)c1[O-] ZINC000426783420 566729502 /nfs/dbraw/zinc/72/95/02/566729502.db2.gz LBMBKTBTKUFAOZ-HNNXBMFYSA-N -2 3 396.237 3.087 10 0 GGAEHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000516001569 566743001 /nfs/dbraw/zinc/74/30/01/566743001.db2.gz UPLVKDROLZKMHF-PSASIEDQSA-N -2 3 385.791 3.138 10 0 GGAEHL CC(C)(C)c1cc(Br)cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1[O-] ZINC000655589469 566818024 /nfs/dbraw/zinc/81/80/24/566818024.db2.gz UMGQVMWADCLECX-NSHDSACASA-N -2 3 392.315 3.373 10 0 GGAEHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1c(C)sc2c1cccc2C)C(=O)[O-] ZINC000582235047 566842748 /nfs/dbraw/zinc/84/27/48/566842748.db2.gz KDOSNRMPZYVYCZ-LBPRGKRZSA-N -2 3 396.515 3.387 10 0 GGAEHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000517732518 566843406 /nfs/dbraw/zinc/84/34/06/566843406.db2.gz BEDVZEMXDXLTOM-GZMMTYOYSA-N -2 3 398.706 3.126 10 0 GGAEHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000517732526 566844335 /nfs/dbraw/zinc/84/43/35/566844335.db2.gz BEDVZEMXDXLTOM-LDYMZIIASA-N -2 3 398.706 3.126 10 0 GGAEHL C[C@H](COC1CCCC1)CS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000563227540 566867063 /nfs/dbraw/zinc/86/70/63/566867063.db2.gz UITMYOCFYDHBQD-SNVBAGLBSA-N -2 3 377.409 3.000 10 0 GGAEHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656518436 566907909 /nfs/dbraw/zinc/90/79/09/566907909.db2.gz VHCWLCHMQUNQOS-SNVBAGLBSA-N -2 3 384.679 3.024 10 0 GGAEHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)C1CCCC1 ZINC000656631443 566928340 /nfs/dbraw/zinc/92/83/40/566928340.db2.gz LNAAETWZMNFXLO-OAHLLOKOSA-N -2 3 375.874 3.294 10 0 GGAEHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccccc1F)C(C)C ZINC000656720408 566937855 /nfs/dbraw/zinc/93/78/55/566937855.db2.gz VJKZVWUAWVKJQY-CQSZACIVSA-N -2 3 387.454 3.270 10 0 GGAEHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000681571068 566986541 /nfs/dbraw/zinc/98/65/41/566986541.db2.gz LDHCPOQJNOIAQH-CYBMUJFWSA-N -2 3 385.844 3.324 10 0 GGAEHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000681571059 566986726 /nfs/dbraw/zinc/98/67/26/566986726.db2.gz HKPZCZXSCHOXHK-UHFFFAOYSA-N -2 3 388.272 3.142 10 0 GGAEHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000681572033 566987026 /nfs/dbraw/zinc/98/70/26/566987026.db2.gz QHXGBHGXXWLPGL-UHFFFAOYSA-N -2 3 388.272 3.142 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000681574140 566988062 /nfs/dbraw/zinc/98/80/62/566988062.db2.gz CZDYPRLYPXKTIL-AWEZNQCLSA-N -2 3 393.770 3.252 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000565055447 567035021 /nfs/dbraw/zinc/03/50/21/567035021.db2.gz QZTJROSVEBXLHA-DGCLKSJQSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(C)c1OCC(=O)[O-] ZINC000523590419 567164701 /nfs/dbraw/zinc/16/47/01/567164701.db2.gz KLFRVECWNJLXKZ-UHFFFAOYSA-N -2 3 387.816 3.360 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1cccs1 ZINC000684133060 567183137 /nfs/dbraw/zinc/18/31/37/567183137.db2.gz GUZCSEBCYDCUGO-LLVKDONJSA-N -2 3 397.371 3.400 10 0 GGAEHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c1 ZINC000432740894 567184126 /nfs/dbraw/zinc/18/41/26/567184126.db2.gz IQXTYWBYDFMPNV-UHFFFAOYSA-N -2 3 393.770 3.242 10 0 GGAEHL Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])s2)cs1 ZINC000547571213 567223592 /nfs/dbraw/zinc/22/35/92/567223592.db2.gz SRMMEBHCOZXTHD-UHFFFAOYSA-N -2 3 388.536 3.349 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000547868674 567252596 /nfs/dbraw/zinc/25/25/96/567252596.db2.gz CQQGTOGIMZUHJR-LLVKDONJSA-N -2 3 397.371 3.400 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c(Cl)cc1F ZINC000547871462 567254103 /nfs/dbraw/zinc/25/41/03/567254103.db2.gz FZFYREUDPRTLEB-GFCCVEGCSA-N -2 3 377.846 3.343 10 0 GGAEHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000547870884 567254242 /nfs/dbraw/zinc/25/42/42/567254242.db2.gz WUEXWZZRCIWSAJ-UHFFFAOYSA-N -2 3 379.743 3.397 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000547886699 567255125 /nfs/dbraw/zinc/25/51/25/567255125.db2.gz HQHZXGSMBBWKIJ-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL COc1cc(Cl)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])cc1Cl ZINC000547892623 567257131 /nfs/dbraw/zinc/25/71/31/567257131.db2.gz FLMUVLYOFSYTAI-UHFFFAOYSA-N -2 3 384.281 3.171 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547895926 567257959 /nfs/dbraw/zinc/25/79/59/567257959.db2.gz CWUZARSFOFMBRW-AAEUAGOBSA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1c(F)cccc1F ZINC000547933984 567265301 /nfs/dbraw/zinc/26/53/01/567265301.db2.gz XAHXVCAESDETAX-ZDUSSCGKSA-N -2 3 396.198 3.376 10 0 GGAEHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000547935410 567266853 /nfs/dbraw/zinc/26/68/53/567266853.db2.gz CYHHNHURZUKJMX-GXTWGEPZSA-N -2 3 375.874 3.051 10 0 GGAEHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Br)c1 ZINC000475787098 567277620 /nfs/dbraw/zinc/27/76/20/567277620.db2.gz DWDWNXFARQEFAL-UHFFFAOYSA-N -2 3 376.203 3.103 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000548198297 567288237 /nfs/dbraw/zinc/28/82/37/567288237.db2.gz JYFFIMUDKQWDPH-CYBMUJFWSA-N -2 3 394.499 3.366 10 0 GGAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1F ZINC000548239336 567295704 /nfs/dbraw/zinc/29/57/04/567295704.db2.gz CETLOAFISDJSPZ-ZDUSSCGKSA-N -2 3 375.780 3.113 10 0 GGAEHL CCCSC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548246594 567298221 /nfs/dbraw/zinc/29/82/21/567298221.db2.gz YBICWZMPNPMNTP-AWEZNQCLSA-N -2 3 387.910 3.368 10 0 GGAEHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000527051038 567309106 /nfs/dbraw/zinc/30/91/06/567309106.db2.gz SHPJKXQLPNXAFG-SNVBAGLBSA-N -2 3 395.289 3.171 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(F)c1 ZINC000548532104 567322649 /nfs/dbraw/zinc/32/26/49/567322649.db2.gz GHIGTSBAIARDBU-ZDUSSCGKSA-N -2 3 385.844 3.009 10 0 GGAEHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000527301816 567329796 /nfs/dbraw/zinc/32/97/96/567329796.db2.gz XAUNNESJNSKMPE-LBPRGKRZSA-N -2 3 389.901 3.298 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c(Cl)cc1F ZINC000548589578 567334878 /nfs/dbraw/zinc/33/48/78/567334878.db2.gz YFPGMRSPATYUHK-CQSZACIVSA-N -2 3 393.770 3.170 10 0 GGAEHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000569007422 567371889 /nfs/dbraw/zinc/37/18/89/567371889.db2.gz HAZCUZQHBCQKLU-NSHDSACASA-N -2 3 394.396 3.290 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570065348 567455695 /nfs/dbraw/zinc/45/56/95/567455695.db2.gz XBIPHQCORUBWGT-GXFFZTMASA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000663254926 567487431 /nfs/dbraw/zinc/48/74/31/567487431.db2.gz MZNYFDCZOWMAHF-SNVBAGLBSA-N -2 3 385.791 3.138 10 0 GGAEHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000570503608 567490410 /nfs/dbraw/zinc/49/04/10/567490410.db2.gz SWDWXOMVPMITGL-SNVBAGLBSA-N -2 3 398.706 3.270 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c(Cl)cc1F ZINC000663293539 567492130 /nfs/dbraw/zinc/49/21/30/567492130.db2.gz JEJMZNBCMXSTEX-MRVPVSSYSA-N -2 3 391.770 3.109 10 0 GGAEHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCCc2c(C)cccc21 ZINC000663431265 567506880 /nfs/dbraw/zinc/50/68/80/567506880.db2.gz DAJONRFBNMVXHK-ZDUSSCGKSA-N -2 3 381.475 3.119 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCOc3c(Cl)cccc32)oc1C(=O)[O-] ZINC000663423978 567507547 /nfs/dbraw/zinc/50/75/47/567507547.db2.gz GSTWLUNPNVRVFO-LBPRGKRZSA-N -2 3 385.825 3.132 10 0 GGAEHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C1CCC(F)CC1 ZINC000663428554 567507595 /nfs/dbraw/zinc/50/75/95/567507595.db2.gz NNRNXVGWIUJDFD-BMQDGWLCSA-N -2 3 393.864 3.242 10 0 GGAEHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551586863 567522360 /nfs/dbraw/zinc/52/23/60/567522360.db2.gz OLPCXIPWOJPJCZ-VIFPVBQESA-N -2 3 398.706 3.270 10 0 GGAEHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000551996419 567548985 /nfs/dbraw/zinc/54/89/85/567548985.db2.gz NUYPLCJLSMBYBW-AWEZNQCLSA-N -2 3 385.869 3.040 10 0 GGAEHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000530338009 567593389 /nfs/dbraw/zinc/59/33/89/567593389.db2.gz GDEXNGHVOPIJTB-LLVKDONJSA-N -2 3 395.289 3.004 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000572578038 567650630 /nfs/dbraw/zinc/65/06/30/567650630.db2.gz YZOVIIHJUMSTOY-MFKMUULPSA-N -2 3 396.690 3.024 10 0 GGAEHL COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000507932171 567717653 /nfs/dbraw/zinc/71/76/53/567717653.db2.gz BQVIINMMTQVDMM-UHFFFAOYSA-N -2 3 394.207 3.426 10 0 GGAEHL O=C(Cc1ccc(Br)cc1[O-])N=c1cc(-c2cccs2)[n-][nH]1 ZINC000444645743 567809875 /nfs/dbraw/zinc/80/98/75/567809875.db2.gz XQWRJFKPOWPJPK-UHFFFAOYSA-N -2 3 378.251 3.209 10 0 GGAEHL O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000444649209 567810762 /nfs/dbraw/zinc/81/07/62/567810762.db2.gz JGLXZPBJSYTYRW-UHFFFAOYSA-N -2 3 388.221 3.432 10 0 GGAEHL CCCCn1c([O-])c(C2=NN[C@H](c3ccccc3OCC)C2)c(=O)[n-]c1=S ZINC000015834804 570272066 /nfs/dbraw/zinc/27/20/66/570272066.db2.gz LSLAGISZJOZDFY-ZDUSSCGKSA-N -2 3 388.493 3.249 10 0 GGAEHL CCCCn1c([O-])c(C2=NN[C@H](c3ccc(OCC)cc3)C2)c(=O)[n-]c1=S ZINC000101763468 570833525 /nfs/dbraw/zinc/83/35/25/570833525.db2.gz VZAUKJJCDQHQJW-AWEZNQCLSA-N -2 3 388.493 3.249 10 0 GGAEHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)n1 ZINC000102510059 570851240 /nfs/dbraw/zinc/85/12/40/570851240.db2.gz QVULGPHHRZXVAR-UHFFFAOYSA-N -2 3 393.827 3.339 10 0 GGAEHL Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1Cl ZINC000102819155 570865908 /nfs/dbraw/zinc/86/59/08/570865908.db2.gz JOFOQJBMQPTEID-CABCVRRESA-N -2 3 376.750 3.424 10 0 GGAEHL O=C([N-]C1(c2nnn[n-]2)CCCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843800138 1428363007 /nfs/dbraw/zinc/36/30/07/1428363007.db2.gz IFTKYZYZNDUXKO-UHFFFAOYSA-N -2 3 376.194 3.184 10 0 GGAEHL O=C([N-][C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C(F)(F)Cc1ccccc1 ZINC000793831111 1429505967 /nfs/dbraw/zinc/50/59/67/1429505967.db2.gz SNSVYPLOWKYCBB-AWEZNQCLSA-N -2 3 395.772 3.076 10 0 GGAEHL CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1[O-] ZINC000012525892 221201490 /nfs/dbraw/zinc/20/14/90/221201490.db2.gz MQLHSBVYOWDZGP-LBPRGKRZSA-N -2 3 378.450 3.186 10 0 GGAEHL Cc1ccc(-n2ncc3c2nc(SCc2ccc(C(=O)[O-])o2)[n-]c3=O)cc1 ZINC000012981305 221252431 /nfs/dbraw/zinc/25/24/31/221252431.db2.gz XFYOKFMZZRXOKQ-UHFFFAOYSA-N -2 3 382.401 3.001 10 0 GGAEHL Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000451045304 450600689 /nfs/dbraw/zinc/60/06/89/450600689.db2.gz XGABTDPOOVURCC-UHFFFAOYSA-N -2 3 394.880 3.295 10 0 GGAEHL O=C(c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1)N1CCCCC1 ZINC000450987240 450601386 /nfs/dbraw/zinc/60/13/86/450601386.db2.gz UTNMYFAVNGQADB-UHFFFAOYSA-N -2 3 394.880 3.473 10 0 GGAEHL Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc(Br)c2[O-])n[n-]1 ZINC000119704553 564284161 /nfs/dbraw/zinc/28/41/61/564284161.db2.gz UEBLBGAVEKTMFK-UHFFFAOYSA-N -2 3 396.632 3.184 10 0 GGAEHL Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc(Br)c2[O-])[n-]n1 ZINC000119704553 564284167 /nfs/dbraw/zinc/28/41/67/564284167.db2.gz UEBLBGAVEKTMFK-UHFFFAOYSA-N -2 3 396.632 3.184 10 0 GGAEHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)n1 ZINC000047328441 564517844 /nfs/dbraw/zinc/51/78/44/564517844.db2.gz HDAHVUIGHHZTFY-UHFFFAOYSA-N -2 3 375.837 3.200 10 0 GGAEHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000129112263 564639019 /nfs/dbraw/zinc/63/90/19/564639019.db2.gz DQXCCNFYDWPORC-UHFFFAOYSA-N -2 3 375.837 3.200 10 0 GGAEHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070555942 564848964 /nfs/dbraw/zinc/84/89/64/564848964.db2.gz QENWQDHBDWUCSE-SCZZXKLOSA-N -2 3 396.690 3.024 10 0 GGAEHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)ccc1C(=O)[O-] ZINC000078877899 564865042 /nfs/dbraw/zinc/86/50/42/564865042.db2.gz AFTSYAYXLLWBGX-UHFFFAOYSA-N -2 3 375.233 3.383 10 0 GGAEHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000102841741 564938269 /nfs/dbraw/zinc/93/82/69/564938269.db2.gz YQVIEDUMBPRFPS-UHFFFAOYSA-N -2 3 375.475 3.170 10 0 GGAEHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)c1nccs1 ZINC000185047570 565174429 /nfs/dbraw/zinc/17/44/29/565174429.db2.gz IZQACPQJPLOCPQ-NSHDSACASA-N -2 3 394.396 3.290 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000164876488 565364616 /nfs/dbraw/zinc/36/46/16/565364616.db2.gz RMWIFDZDAWMFRM-AAEUAGOBSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000164876738 565364783 /nfs/dbraw/zinc/36/47/83/565364783.db2.gz RMWIFDZDAWMFRM-YPMHNXCESA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000168868562 565381783 /nfs/dbraw/zinc/38/17/83/565381783.db2.gz CFGYJSCFPPWLFX-UHFFFAOYSA-N -2 3 388.272 3.142 10 0 GGAEHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000399467650 565578869 /nfs/dbraw/zinc/57/88/69/565578869.db2.gz SIAXSAGVVCEUFF-KWQFWETISA-N -2 3 398.706 3.126 10 0 GGAEHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000399467652 565579184 /nfs/dbraw/zinc/57/91/84/565579184.db2.gz SIAXSAGVVCEUFF-LDYMZIIASA-N -2 3 398.706 3.126 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314218134 565586032 /nfs/dbraw/zinc/58/60/32/565586032.db2.gz ORWGYQDVMRZUET-ZWNOBZJWSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000325313636 565620935 /nfs/dbraw/zinc/62/09/35/565620935.db2.gz AESMWIHIRHZHOQ-AAEUAGOBSA-N -2 3 385.791 3.281 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000325313640 565621298 /nfs/dbraw/zinc/62/12/98/565621298.db2.gz AESMWIHIRHZHOQ-WCQYABFASA-N -2 3 385.791 3.281 10 0 GGAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325639660 565622460 /nfs/dbraw/zinc/62/24/60/565622460.db2.gz WDTIRAPXFODUIU-AAEUAGOBSA-N -2 3 385.791 3.281 10 0 GGAEHL CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000327658164 565631784 /nfs/dbraw/zinc/63/17/84/565631784.db2.gz GFXBEYYGVYGFHB-UHFFFAOYSA-N -2 3 382.825 3.106 10 0 GGAEHL O=C([O-])CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282999956 565806581 /nfs/dbraw/zinc/80/65/81/565806581.db2.gz NUXFNSAUYNNIAB-UHFFFAOYSA-N -2 3 384.679 3.026 10 0 GGAEHL C[C@H](Sc1n[nH]c(=O)[n-]1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000194621968 565827029 /nfs/dbraw/zinc/82/70/29/565827029.db2.gz KFABECINHCKFQV-LURJTMIESA-N -2 3 377.476 3.390 10 0 GGAEHL Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)ccc1Br ZINC000195503417 565888160 /nfs/dbraw/zinc/88/81/60/565888160.db2.gz CGONTXMHJYBRSN-QPJJXVBHSA-N -2 3 377.238 3.337 10 0 GGAEHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c(F)c1 ZINC000414336177 565912314 /nfs/dbraw/zinc/91/23/14/565912314.db2.gz VYSLYKSRIRPPLQ-JQWIXIFHSA-N -2 3 383.363 3.313 10 0 GGAEHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000417493068 566152507 /nfs/dbraw/zinc/15/25/07/566152507.db2.gz VRYABOAZAHYWRV-UHFFFAOYSA-N -2 3 384.679 3.024 10 0 GGAEHL O=C(Nc1cccc([O-])c1F)c1c[n-]c2ccc(Br)cc2c1=O ZINC000555968460 566265037 /nfs/dbraw/zinc/26/50/37/566265037.db2.gz NGYNPVPRGZHNJL-UHFFFAOYSA-N -2 3 377.169 3.388 10 0 GGAEHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)sc21 ZINC000650419453 566454600 /nfs/dbraw/zinc/45/46/00/566454600.db2.gz RXWXBMNKQPOHAY-RISCZKNCSA-N -2 3 385.507 3.145 10 0 GGAEHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000484844022 566460266 /nfs/dbraw/zinc/46/02/66/566460266.db2.gz FKNUVWDJTBOITB-AWEZNQCLSA-N -2 3 385.844 3.234 10 0 GGAEHL Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000559247494 566535365 /nfs/dbraw/zinc/53/53/65/566535365.db2.gz QVVWANKCYIDXOQ-UHFFFAOYSA-N -2 3 396.881 3.126 10 0 GGAEHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000559252561 566536511 /nfs/dbraw/zinc/53/65/11/566536511.db2.gz APHGORKCHZVNBL-UHFFFAOYSA-N -2 3 388.214 3.228 10 0 GGAEHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000579719302 566634434 /nfs/dbraw/zinc/63/44/34/566634434.db2.gz TZJCSYQYSPUBDH-KOLCDFICSA-N -2 3 396.690 3.024 10 0 GGAEHL CCO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC000629290154 566636719 /nfs/dbraw/zinc/63/67/19/566636719.db2.gz NJKHISDNEIJGQV-GFCCVEGCSA-N -2 3 382.265 3.248 10 0 GGAEHL C[C@H](COC1CCCC1)CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000580316788 566682276 /nfs/dbraw/zinc/68/22/76/566682276.db2.gz BCGVBWRSPPPRGG-LLVKDONJSA-N -2 3 375.874 3.375 10 0 GGAEHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000468370740 566698760 /nfs/dbraw/zinc/69/87/60/566698760.db2.gz GZYKBPUBVPWJJY-SNVBAGLBSA-N -2 3 389.832 3.399 10 0 GGAEHL COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c(Br)c1[O-] ZINC000426682275 566723529 /nfs/dbraw/zinc/72/35/29/566723529.db2.gz HEKXNPNCKWEKRT-OAHLLOKOSA-N -2 3 380.238 3.387 10 0 GGAEHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cscc1Br ZINC000630413862 566726078 /nfs/dbraw/zinc/72/60/78/566726078.db2.gz MJPUGSDWWBBEQJ-RKDXNWHRSA-N -2 3 384.317 3.068 10 0 GGAEHL COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c(Br)c1[O-] ZINC000426762730 566726876 /nfs/dbraw/zinc/72/68/76/566726876.db2.gz MUQLFZIXBVOEFN-CQSZACIVSA-N -2 3 384.201 3.218 10 0 GGAEHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000630422203 566728124 /nfs/dbraw/zinc/72/81/24/566728124.db2.gz YIQJNGKDFMVSFJ-KCJUWKMLSA-N -2 3 396.328 3.068 10 0 GGAEHL COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc(Br)c1[O-] ZINC000426777927 566729644 /nfs/dbraw/zinc/72/96/44/566729644.db2.gz RWTCTIPFBQRJRH-OAHLLOKOSA-N -2 3 396.237 3.087 10 0 GGAEHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000581048954 566745540 /nfs/dbraw/zinc/74/55/40/566745540.db2.gz PUQWVKCPKVWIHZ-UHFFFAOYSA-N -2 3 398.706 3.272 10 0 GGAEHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000562644927 566808823 /nfs/dbraw/zinc/80/88/23/566808823.db2.gz OKGDLUUVEROYGQ-MRVPVSSYSA-N -2 3 384.679 3.024 10 0 GGAEHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000562644928 566808847 /nfs/dbraw/zinc/80/88/47/566808847.db2.gz OKGDLUUVEROYGQ-QMMMGPOBSA-N -2 3 384.679 3.024 10 0 GGAEHL Cc1oc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000543788136 566911877 /nfs/dbraw/zinc/91/18/77/566911877.db2.gz SGRVWVYZLFSFSL-UHFFFAOYSA-N -2 3 378.233 3.213 10 0 GGAEHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000681572819 566987885 /nfs/dbraw/zinc/98/78/85/566987885.db2.gz ZJWBNAASCZOHEW-UHFFFAOYSA-N -2 3 388.272 3.142 10 0 GGAEHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000681573220 566988588 /nfs/dbraw/zinc/98/85/88/566988588.db2.gz PELZXOODSJTDTD-ZDUSSCGKSA-N -2 3 385.844 3.324 10 0 GGAEHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000681578663 566990059 /nfs/dbraw/zinc/99/00/59/566990059.db2.gz QVZWQCCHNHMPRI-OAHLLOKOSA-N -2 3 376.459 3.099 10 0 GGAEHL O=C(Nc1cc(I)ccc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000613022897 567011380 /nfs/dbraw/zinc/01/13/80/567011380.db2.gz OYUMDYVVVPHXSJ-UHFFFAOYSA-N -2 3 391.111 3.233 10 0 GGAEHL CCCN(CCC)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000545313713 567038577 /nfs/dbraw/zinc/03/85/77/567038577.db2.gz LMMIBHHHCSMJIX-UHFFFAOYSA-N -2 3 384.376 3.062 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc2ccccc2)sc1Cl ZINC000473439460 567080951 /nfs/dbraw/zinc/08/09/51/567080951.db2.gz AUJYAWMVTDSJJE-ZDUSSCGKSA-N -2 3 387.910 3.464 10 0 GGAEHL O=C([O-])CC1(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCCC1 ZINC000566663483 567177994 /nfs/dbraw/zinc/17/79/94/567177994.db2.gz ZPQXGQMGVJHBTM-UHFFFAOYSA-N -2 3 379.400 3.198 10 0 GGAEHL C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000566834837 567193911 /nfs/dbraw/zinc/19/39/11/567193911.db2.gz IIVUTQVDRWBLPF-JTQLQIEISA-N -2 3 377.409 3.000 10 0 GGAEHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(C)c1OCC(=O)[O-] ZINC000524382781 567198062 /nfs/dbraw/zinc/19/80/62/567198062.db2.gz VOODIRHZSQMOML-UHFFFAOYSA-N -2 3 387.816 3.360 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(O)c1 ZINC000547541931 567216810 /nfs/dbraw/zinc/21/68/10/567216810.db2.gz QKVJRVDOEZNACG-UHFFFAOYSA-N -2 3 375.324 3.051 10 0 GGAEHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000547541931 567216813 /nfs/dbraw/zinc/21/68/13/567216813.db2.gz QKVJRVDOEZNACG-UHFFFAOYSA-N -3 3 375.324 3.051 10 0 GGAEHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000547541720 567217363 /nfs/dbraw/zinc/21/73/63/567217363.db2.gz IWQYXRQZOGRCLA-ZDUSSCGKSA-N -2 3 383.422 3.436 10 0 GGAEHL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)c(C(=O)[O-])c1 ZINC000547547893 567219067 /nfs/dbraw/zinc/21/90/67/567219067.db2.gz WWXQEOLMFKLWBQ-UHFFFAOYSA-N -2 3 399.266 3.014 10 0 GGAEHL Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000547564430 567221846 /nfs/dbraw/zinc/22/18/46/567221846.db2.gz CSTSORVAQNQNKL-UHFFFAOYSA-N -2 3 384.797 3.364 10 0 GGAEHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F ZINC000547574801 567224231 /nfs/dbraw/zinc/22/42/31/567224231.db2.gz BFTVRNCYAWXNPC-UHFFFAOYSA-N -2 3 381.278 3.483 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547574181 567224549 /nfs/dbraw/zinc/22/45/49/567224549.db2.gz ATCDUKUOUGVMNH-DGCLKSJQSA-N -2 3 396.690 3.024 10 0 GGAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547574182 567224663 /nfs/dbraw/zinc/22/46/63/567224663.db2.gz ATCDUKUOUGVMNH-WCQYABFASA-N -2 3 396.690 3.024 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(F)c1 ZINC000547609122 567230111 /nfs/dbraw/zinc/23/01/11/567230111.db2.gz ODZFDYLCZSTBSK-GFCCVEGCSA-N -2 3 396.198 3.376 10 0 GGAEHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Br)cc2)c1F ZINC000547610472 567231763 /nfs/dbraw/zinc/23/17/63/567231763.db2.gz SLVWPUNFKHXAHS-UHFFFAOYSA-N -2 3 392.177 3.226 10 0 GGAEHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c(Cl)c1Cl ZINC000547612707 567231831 /nfs/dbraw/zinc/23/18/31/567231831.db2.gz IWSXGICWNQGKSN-GFCCVEGCSA-N -2 3 396.273 3.168 10 0 GGAEHL Cc1cc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c(Cl)cc1F ZINC000547699549 567240613 /nfs/dbraw/zinc/24/06/13/567240613.db2.gz XUPUFBVKONBSMM-HNNXBMFYSA-N -2 3 385.844 3.152 10 0 GGAEHL Cc1cccc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1F ZINC000547872514 567254082 /nfs/dbraw/zinc/25/40/82/567254082.db2.gz FJSMJXWWSKDZGJ-ZDUSSCGKSA-N -2 3 385.844 3.009 10 0 GGAEHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000547913092 567262200 /nfs/dbraw/zinc/26/22/00/567262200.db2.gz HTDVUOOQJJKVFN-DGCLKSJQSA-N -2 3 379.400 3.407 10 0 GGAEHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000547934808 567267165 /nfs/dbraw/zinc/26/71/65/567267165.db2.gz JJZHAZLTRPVCBP-ZJUUUORDSA-N -2 3 396.328 3.213 10 0 GGAEHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000548202696 567290020 /nfs/dbraw/zinc/29/00/20/567290020.db2.gz LDQQCPHORFQZAU-CYBMUJFWSA-N -2 3 385.844 3.009 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000548264659 567300430 /nfs/dbraw/zinc/30/04/30/567300430.db2.gz UCPAJUTUSFZHHQ-NSHDSACASA-N -2 3 383.344 3.010 10 0 GGAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1c(F)cccc1F ZINC000548263026 567301468 /nfs/dbraw/zinc/30/14/68/567301468.db2.gz NPNRYMQIPVHJNZ-AWEZNQCLSA-N -2 3 393.770 3.003 10 0 GGAEHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000548265756 567302861 /nfs/dbraw/zinc/30/28/61/567302861.db2.gz JCNSKIJUCFNXTF-CQSZACIVSA-N -2 3 389.445 3.428 10 0 GGAEHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000527052095 567309583 /nfs/dbraw/zinc/30/95/83/567309583.db2.gz HMUGWEPZPIQYRL-LLVKDONJSA-N -2 3 395.289 3.004 10 0 GGAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Br)cc(Cl)c1[O-] ZINC000527209830 567320843 /nfs/dbraw/zinc/32/08/43/567320843.db2.gz QNXGIRGTFPFGPN-LLVKDONJSA-N -2 3 386.633 3.057 10 0 GGAEHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000548526195 567322604 /nfs/dbraw/zinc/32/26/04/567322604.db2.gz XXJXYTBNYBGFOE-UHFFFAOYSA-N -2 3 386.216 3.369 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000548577264 567332003 /nfs/dbraw/zinc/33/20/03/567332003.db2.gz LFWLSNGFQVZDHZ-GFCCVEGCSA-N -2 3 378.208 3.237 10 0 GGAEHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000548992968 567366658 /nfs/dbraw/zinc/36/66/58/567366658.db2.gz JUXZDCALEKVFIO-NSHDSACASA-N -2 3 396.690 3.024 10 0 GGAEHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000569007408 567372001 /nfs/dbraw/zinc/37/20/01/567372001.db2.gz HAZCUZQHBCQKLU-LLVKDONJSA-N -2 3 394.396 3.290 10 0 GGAEHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)Nc2c(F)cc(Cl)c(C)c2F)c1 ZINC000436655364 567440770 /nfs/dbraw/zinc/44/07/70/567440770.db2.gz LIOHHZUUGDDUGR-UHFFFAOYSA-N -2 3 391.779 3.440 10 0 GGAEHL O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc(Br)cc(Cl)c1[O-] ZINC000436770461 567451831 /nfs/dbraw/zinc/45/18/31/567451831.db2.gz OUUZKBJTMZTLDD-UHFFFAOYSA-N -2 3 393.628 3.267 10 0 GGAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccsc1 ZINC000550822885 567464934 /nfs/dbraw/zinc/46/49/34/567464934.db2.gz AHXOBOVQFDKRDE-SECBINFHSA-N -2 3 396.309 3.066 10 0 GGAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CCC1 ZINC000663254552 567487243 /nfs/dbraw/zinc/48/72/43/567487243.db2.gz ACQVMFJQIJIRAH-JTQLQIEISA-N -2 3 385.791 3.138 10 0 GGAEHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000570713790 567506423 /nfs/dbraw/zinc/50/64/23/567506423.db2.gz ZHWSYZFALHLRJL-LBPRGKRZSA-N -2 3 387.866 3.292 10 0 GGAEHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCC(F)CC1 ZINC000663428555 567507709 /nfs/dbraw/zinc/50/77/09/567507709.db2.gz NNRNXVGWIUJDFD-GRZMOONWSA-N -2 3 393.864 3.242 10 0 GGAEHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539071 567527533 /nfs/dbraw/zinc/52/75/33/567527533.db2.gz OWDUDGINGBEZPB-OAHLLOKOSA-N -2 3 384.885 3.101 10 0 GGAEHL C[C@H](Sc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1)C(=O)[O-] ZINC000551911847 567542042 /nfs/dbraw/zinc/54/20/42/567542042.db2.gz SSMSVUCDNVYWCT-JTQLQIEISA-N -2 3 387.429 3.472 10 0 GGAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1c(F)cccc1F ZINC000551911552 567542615 /nfs/dbraw/zinc/54/26/15/567542615.db2.gz XQAOVIKRXAASJP-OAHLLOKOSA-N -2 3 383.397 3.284 10 0 GGAEHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000572938367 567677161 /nfs/dbraw/zinc/67/71/61/567677161.db2.gz NQPWKGAPBUUWNU-LBPRGKRZSA-N -2 3 398.333 3.424 10 0 GGAEHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000574143968 567758543 /nfs/dbraw/zinc/75/85/43/567758543.db2.gz GZDUKHCRMGHDFM-NSHDSACASA-N -2 3 382.404 3.050 10 0 GGAEHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)ccc1Cl ZINC000078814927 570509570 /nfs/dbraw/zinc/50/95/70/570509570.db2.gz VBPVLLPWROPCLM-UHFFFAOYSA-N -2 3 395.799 3.164 10 0 GGAEHL CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c(=O)[n-]c1=S ZINC000101456677 570824076 /nfs/dbraw/zinc/82/40/76/570824076.db2.gz JOVDPYWAYPNOAM-HNNXBMFYSA-N -2 3 386.477 3.109 10 0 GGAEHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253352 570861398 /nfs/dbraw/zinc/86/13/98/570861398.db2.gz ZANYJDRWEOKRFH-UHFFFAOYSA-N -2 3 392.477 3.431 10 0 GGAEHL CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1 ZINC000102818820 570865311 /nfs/dbraw/zinc/86/53/11/570865311.db2.gz XLYQSZJMUWVCRN-RBUKOAKNSA-N -2 3 376.416 3.072 10 0 GGAEHL CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1 ZINC000102818826 570865398 /nfs/dbraw/zinc/86/53/98/570865398.db2.gz XLYQSZJMUWVCRN-MOPGFXCFSA-N -2 3 376.416 3.072 10 0 GGAEHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c2)n1 ZINC000032933526 570947253 /nfs/dbraw/zinc/94/72/53/570947253.db2.gz ZOMDQFBKHDAQRV-UHFFFAOYSA-N -2 3 393.827 3.339 10 0 GGAEHL